| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.1 | Low | 56.5 | Low | 235 Ų | 235 | 137.5 Ų | 137.5 | 100% | 1.158 | 69% | 0.687 | S | S | * | * | 0 | 122.2 | 0 | -75.9 | 162.6 | 130 | 0 | 0 | 107.1 | |||||
| 2 | S | 56.9 | Low | 55.9 | Low | 71 Ų | 71 | 131.5 Ų | 131.5 | 50% | 0.497 | 69% | 0.687 | S | S | . | * | trans | -77.3 | 144.8 | -171.2 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | F4 D5 | S2-F4 PolarHBondContact O-N 2.81Å; S2-F4 VanDerWaalsContact O-N 3.13Å; S2-F4 WeakPolarHBondContact OG-CD2 3.43Å; S2-D5 VanDerWaalsContact O-CB 3.27Å; S2-D5 WeakPolarHBondContact O-CB 3.44Å; S2-D5 PolarHBondContact O-N 3.25Å | ||
| 3 | L | 56.1 | Low | 55.5 | Low | 124 Ų | 124 | 129 Ų | 129 | 65% | 0.649 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -56.5 | -29.1 | 176.6 | -155.2 | 78 | 0 | 0 | 0 | 111.8 | D5 L6 | L3-D5 PolarHBondContact O-N 3.48Å; L3-L6 PolarHBondContact O-N 2.73Å |
| 4 | F | 53.9 | Low | 55 | Low | 167 Ų | 167 | 128.1 Ų | 128.1 | 73% | 0.732 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -65.2 | -23.3 | 175.8 | -67.6 | -85.8 | 0 | 0 | 0 | 113.7 | S2 R8 | S2-F4 PolarHBondContact O-N 2.81Å; S2-F4 VanDerWaalsContact O-N 3.13Å; S2-F4 WeakPolarHBondContact OG-CD2 3.43Å; F4-R8 PolarHBondContact O-N 3.07Å |
| 5 | D | 57.5 | Low | 54.2 | Low | 102 Ų | 102 | 123.8 Ų | 123.8 | 55% | 0.545 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -79.2 | -30.1 | 177.4 | -125.4 | 7.7 | 0 | 0 | 0 | 111.7 | S2 L3 R8 | S2-D5 VanDerWaalsContact O-CB 3.27Å; S2-D5 WeakPolarHBondContact O-CB 3.44Å; S2-D5 PolarHBondContact O-N 3.25Å; L3-D5 PolarHBondContact O-N 3.48Å; D5-R8 PolarHBondContact O-N 3.44Å |
| 6 | L | 64.9 | Low | 53.4 | Low | 130 Ų | 130 | 121 Ų | 121 | 68% | 0.681 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -69.8 | -34.6 | 176.7 | -172.2 | 61.5 | 0 | 0 | 0 | 111.8 | L3 | L3-L6 PolarHBondContact O-N 2.73Å |
| 7 | F | 57.5 | Low | 52.7 | Low | 135 Ų | 135 | 117.7 Ų | 117.7 | 59% | 0.592 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -74.4 | -30.1 | 176.6 | -86.9 | -88.3 | 0 | 0 | 0 | 113.4 | G9 F10 | F7-G9 VanDerWaalsContact C-N 3.32Å; F7-G9 PolarHBondContact O-N 2.73Å; F7-F10 PolarHBondContact O-N 3.2Å |
| 8 | R | 60 | Low | 52.5 | Low | 163 Ų | 163 | 121.8 Ų | 121.8 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -67.7 | -30.6 | 176 | -82.1 | -177.6 | -179.1 | 179.7 | 0.3 | 113.4 | F4 D5 F10 | F4-R8 PolarHBondContact O-N 3.07Å; D5-R8 PolarHBondContact O-N 3.44Å; R8-F10 VanDerWaalsContact C-N 3.29Å; R8-F10 PolarHBondContact O-N 3.42Å |
| 9 | G | 54.4 | Low | 51.9 | Low | 68 Ų | 68 | 123.7 Ų | 123.7 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -67.3 | -26.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | F7 | F7-G9 VanDerWaalsContact C-N 3.32Å; F7-G9 PolarHBondContact O-N 2.73Å |
| 10 | F | 56.1 | Low | 51.6 | Low | 166 Ų | 166 | 129.8 Ų | 129.8 | 73% | 0.728 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -79.7 | -28.2 | -175.8 | -165.5 | -98 | 0 | 0 | 0 | 113.5 | F7 R8 | F7-F10 PolarHBondContact O-N 3.2Å; R8-F10 VanDerWaalsContact C-N 3.29Å; R8-F10 PolarHBondContact O-N 3.42Å |
| 11 | F | 54.3 | Low | 51 | Low | 151 Ų | 151 | 126.7 Ų | 126.7 | 66% | 0.662 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 8 | -175.9 | -71.9 | -79.3 | 0 | 0 | 0 | 114.9 | V13 | F11-V13 PolarHBondContact O-N 3.14Å; F11-V13 VanDerWaalsContact O-N 3.14Å |
| 12 | G | 48.9 | Very low | 50.8 | Low | 66 Ų | 66 | 124.6 Ų | 124.6 | 68% | 0.68 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.1 | 26.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | P14 | G12-P14 WeakPolarHBondContact O-CD 3.48Š|
| 13 | V | 51.5 | Low | 50.5 | Low | 99 Ų | 99 | 124.3 Ų | 124.3 | 60% | 0.6 | 71% | 0.713 | S | S | * | * | trans | -81.7 | 115.7 | 172.4 | -175.9 | 0 | 0 | 0 | 0 | 107.5 | F11 G15 | F11-V13 PolarHBondContact O-N 3.14Å; F11-V13 VanDerWaalsContact O-N 3.14Å; V13-G15 PolarHBondContact O-N 3.39Å; V13-G15 VanDerWaalsContact O-N 3.13Å | ||
| 14 | P | 47.3 | Very low | 50.3 | Low | 116 Ų | 116 | 130.3 Ų | 130.3 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | trans | -60.9 | 122 | 176.2 | -15.6 | 28.7 | 0 | 0 | 0 | 108.4 | G12 G16 | G12-P14 WeakPolarHBondContact O-CD 3.48Å; P14-G16 PolarHBondContact O-N 3.44Å | ||
| 15 | G | 43.3 | Very low | 50.2 | Low | 64 Ų | 64 | 133.7 Ų | 133.7 | 66% | 0.66 | 74% | 0.735 | S | S | * | * | trans | -58.9 | 105.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | V13 G17 | V13-G15 PolarHBondContact O-N 3.39Å; V13-G15 VanDerWaalsContact O-N 3.13Å; G15-G17 VanDerWaalsContact C-N 3.32Å; G15-G17 PolarHBondContact O-N 3.4Å | ||
| 16 | G | 42.4 | Very low | 49.9 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 81% | 0.814 | 74% | 0.735 | S | S | * | * | trans | -66.4 | 92.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | P14 | P14-G16 PolarHBondContact O-N 3.44Š| ||
| 17 | G | 41.2 | Very low | 49.8 | Very low | 65 Ų | 65 | 133.2 Ų | 133.2 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | trans | -57.5 | 141 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109 | G15 D19 | G15-G17 VanDerWaalsContact C-N 3.32Å; G15-G17 PolarHBondContact O-N 3.4Å; G17-D19 PolarHBondContact O-N 2.9Å | ||
| 18 | H | 49.2 | Very low | 49.8 | Very low | 191 Ų | 191 | 135 Ų | 135 | 88% | 0.884 | 75% | 0.747 | S | S | * | * | trans | -41.8 | 109.9 | 174.9 | -63.5 | 124 | 0 | 0 | 0 | 112.2 | ||||
| 19 | D | 40.7 | Very low | 49.4 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | trans | -145.8 | 122.7 | 152.3 | -92.3 | -47.4 | 0 | 0 | 0 | 111.2 | G17 | G17-D19 PolarHBondContact O-N 2.9Š| ||
| 20 | R | 44.7 | Very low | 49.4 | Very low | 245 Ų | 245 | 136.8 Ų | 136.8 | 93% | 0.925 | 75% | 0.747 | S | S | * | * | trans | -25.7 | 137.8 | 166.6 | -77.3 | 166.9 | 162.9 | 163.9 | -4.5 | 115.8 | ||||
| 21 | G | 40.3 | Very low | 49.1 | Very low | 65 Ų | 65 | 132.1 Ų | 132.1 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | trans | 104.6 | 134 | 136.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 22 | E | 45.7 | Very low | 49 | Very low | 191 Ų | 191 | 133.1 Ų | 133.1 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | trans | 59.5 | 97.6 | 159.2 | -111 | 82.8 | -172.9 | 0 | 0 | 119 | ||||
| 23 | G | 51.2 | Low | 49.3 | Very low | 65 Ų | 65 | 135.8 Ų | 135.8 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | 61.5 | 87.9 | 118.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 24 | R | 50.5 | Low | 49 | Very low | 249 Ų | 249 | 138 Ų | 138 | 94% | 0.94 | 76% | 0.761 | S | S | * | * | trans | 169 | 84.2 | 135 | -89.4 | 156.7 | -159.8 | -76.8 | 1.1 | 108.1 | ||||
| 25 | R | 53 | Low | 49.3 | Very low | 238 Ų | 238 | 138.7 Ų | 138.7 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | trans | -88 | 137.2 | 166.5 | -72 | -176.9 | 177.9 | 162.7 | -1.9 | 108.7 | ||||
| 26 | D | 51 | Low | 49.7 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 56% | 0.556 | 76% | 0.759 | S | S | * | * | trans | -70.6 | 124 | -176.7 | -164.6 | -4.1 | 0 | 0 | 0 | 109.4 | F28 F29 | D26-F28 PolarHBondContact O-N 3.19Å; D26-F29 HydrophobicContact CB-CD2 4.48Å; D26-F29 PolarHBondContact O-N 3.29Å | ||
| 27 | P | 62.8 | Low | 50.3 | Low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -6.9 | -177.3 | 22 | -34.5 | 0 | 0 | 0 | 114.6 | ||
| 28 | F | 57.5 | Low | 51 | Low | 172 Ų | 172 | 147.9 Ų | 147.9 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -22 | 178.8 | -136.1 | -91.1 | 0 | 0 | 0 | 114.5 | D26 | D26-F28 PolarHBondContact O-N 3.19Š|
| 29 | F | 51.2 | Low | 51.3 | Low | 137 Ų | 137 | 145.4 Ų | 145.4 | 60% | 0.601 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -116.1 | 6.9 | -171.9 | -64.4 | -80.4 | 0 | 0 | 0 | 114.7 | D26 G31 M32 | D26-F29 HydrophobicContact CB-CD2 4.48Å; D26-F29 PolarHBondContact O-N 3.29Å; F29-G31 PolarHBondContact O-N 2.97Å; F29-M32 PolarHBondContact O-N 3.26Å |
| 30 | D | 53.4 | Low | 52 | Low | 133 Ų | 133 | 145 Ų | 145 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -15.4 | -172 | -148.7 | 38 | 0 | 0 | 0 | 113.9 | ||
| 31 | G | 51.7 | Low | 52.4 | Low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -8.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116 | F29 | F29-G31 PolarHBondContact O-N 2.97Š|
| 32 | M | 51.4 | Low | 52.9 | Low | 171 Ų | 171 | 145.9 Ų | 145.9 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -97.8 | -4.9 | -171.2 | -113.4 | 107.5 | -149.1 | 0 | 0 | 114.7 | F29 | F29-M32 PolarHBondContact O-N 3.26Š|
| 33 | T | 55 | Low | 52.9 | Low | 123 Ų | 123 | 145.1 Ų | 145.1 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | -127.7 | 28.2 | -179.4 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | D35 | T33-D35 PolarHBondContact O-N 3.27Š| ||
| 34 | H | 46.1 | Very low | 52.4 | Low | 144 Ų | 144 | 150.6 Ų | 150.6 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | trans | -76.1 | 104.7 | 168.3 | -160.5 | 50.8 | 0 | 0 | 0 | 107.4 | D36 | H34-D36 IonicContact CD2-OD1 3.15Å; H34-D36 PolarHBondContact CD2-OD1 2.95Å; H34-D36 IonicContact NE2-OD1 3.56Å; H34-D36 PolarHBondContact O-N 3.25Å; H34-D36 VanDerWaalsContact O-N 3.13Å | ||
| 35 | D | 52.3 | Low | 52 | Low | 131 Ų | 131 | 146.2 Ų | 146.2 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | -61.5 | 101.9 | 159.4 | -92 | -29.2 | 0 | 0 | 0 | 106.8 | T33 D37 | T33-D35 PolarHBondContact O-N 3.27Å; D35-D37 PolarHBondContact O-N 3.36Å | ||
| 36 | D | 51.7 | Low | 51.3 | Low | 125 Ų | 125 | 137.6 Ų | 137.6 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | trans | -79.3 | 82.2 | 156.1 | -71.9 | -40.3 | 0 | 0 | 0 | 106.3 | H34 D38 | H34-D36 IonicContact CD2-OD1 3.15Å; H34-D36 PolarHBondContact CD2-OD1 2.95Å; H34-D36 IonicContact NE2-OD1 3.56Å; H34-D36 PolarHBondContact O-N 3.25Å; H34-D36 VanDerWaalsContact O-N 3.13Å; D36-D38 PolarHBondContact O-N 3.23Å | ||
| 37 | D | 55.7 | Low | 50.8 | Low | 132 Ų | 132 | 140.5 Ų | 140.5 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -68.2 | 79.2 | 160.6 | -79.6 | -30.6 | 0 | 0 | 0 | 107.6 | D35 | D35-D37 PolarHBondContact O-N 3.36Š| ||
| 38 | D | 56.3 | Low | 49.5 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | -92.8 | 94.9 | 159.9 | -90 | -24 | 0 | 0 | 0 | 107.7 | D36 D40 | D36-D38 PolarHBondContact O-N 3.23Å; D38-D40 PolarHBondContact O-N 3.43Å; D38-D40 VanDerWaalsContact O-N 3.11Å | ||
| 39 | D | 55.4 | Low | 48.8 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | -60.5 | 97.8 | 161.9 | -72.8 | -41.8 | 0 | 0 | 0 | 109 | ||||
| 40 | D | 55.3 | Low | 48 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -117.2 | 93 | 157.7 | -89.4 | -26.2 | 0 | 0 | 0 | 108.8 | D38 E42 | D38-D40 PolarHBondContact O-N 3.43Å; D38-D40 VanDerWaalsContact O-N 3.11Å; D40-E42 PolarHBondContact O-N 3.31Å | ||
| 41 | D | 52.3 | Low | 47 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | trans | -68.1 | 96.3 | 166.3 | -68.5 | -45.1 | 0 | 0 | 0 | 110.1 | ||||
| 42 | E | 52.2 | Low | 46.7 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -135.4 | 82.9 | 159.9 | -69.8 | -174.7 | 169.3 | 0 | 0 | 110.3 | D40 | D40-E42 PolarHBondContact O-N 3.31Š| ||
| 43 | E | 44.1 | Very low | 46.2 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | 36.6 | 117 | 128.1 | -62.7 | 167.3 | 180 | 0 | 0 | 119.5 | |||||
| 44 | E | 41.8 | Very low | 45.2 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | trans | 61.5 | 107.2 | 131.5 | -168.9 | 164.9 | -136.5 | 0 | 0 | 116.4 | ||||
| 45 | D | 40.9 | Very low | 44.3 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | 175.7 | 161.7 | 77.2 | 50 | -7.9 | 0 | 0 | 0 | 113.8 | |||||
| 46 | G | 38.3 | Very low | 43.9 | Very low | 58 Ų | 58 | 140.2 Ų | 140.2 | 60% | 0.598 | 79% | 0.793 | S | S | * | * | trans | 104.1 | 66.6 | 138.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | Y48 | G46-Y48 PolarHBondContact O-N 3.29Š| ||
| 47 | I | 41.2 | Very low | 43.1 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -64.3 | 110.5 | 157.8 | -39.7 | 168.4 | 0 | 0 | 0 | 108.6 | ||||
| 48 | Y | 36.6 | Very low | 42.3 | Very low | 219 Ų | 219 | 139.4 Ų | 139.4 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -133.4 | 102.1 | 160.7 | -77.1 | -80.6 | 0 | 0 | 0 | 111.7 | G46 | G46-Y48 PolarHBondContact O-N 3.29Š| ||
| 49 | F | 41.4 | Very low | 41.5 | Very low | 204 Ų | 204 | 140.4 Ų | 140.4 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -73.3 | 113.9 | 152.9 | -166.8 | -89.4 | 0 | 0 | 0 | 106.7 | ||||
| 50 | D | 34.6 | Very low | 40.8 | Very low | 153 Ų | 153 | 138 Ų | 138 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -131.1 | 123.2 | 163.9 | -170.3 | 26 | 0 | 0 | 0 | 110.6 | ||||
| 51 | G | 33.8 | Very low | 40.5 | Very low | 38 Ų | 38 | 137.9 Ų | 137.9 | 39% | 0.392 | 79% | 0.786 | S | S | . | * | trans | -93.2 | 152.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 52 | S | 44.3 | Very low | 39.9 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 56.9 | 102.9 | 156.8 | 58.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 53 | Q | 40.4 | Very low | 39.8 | Very low | 198 Ų | 198 | 135 Ų | 135 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | 150.3 | 115.1 | 103.7 | -170.2 | 161.8 | 30 | 0 | 0 | 112.1 | |||||
| 54 | G | 34.2 | Very low | 40.1 | Very low | 83 Ų | 83 | 130.6 Ų | 130.6 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | trans | 97.5 | 98.8 | 145.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 55 | G | 28 | Very low | 40.6 | Very low | 80 Ų | 80 | 125.4 Ų | 125.4 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | trans | -174.9 | 92.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G57 | G55-G57 PolarHBondContact O-N 3.22Š| ||
| 56 | G | 43.3 | Very low | 41 | Very low | 96 Ų | 96 | 127.3 Ų | 127.3 | 99% | 0.99 | 72% | 0.722 | S | S | * | * | trans | -56.7 | 124 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 57 | G | 34.5 | Very low | 41.9 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | trans | -153.5 | 95.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | G55 | G55-G57 PolarHBondContact O-N 3.22Š| ||
| 58 | Q | 39.7 | Very low | 42.7 | Very low | 173 Ų | 173 | 128.8 Ų | 128.8 | 81% | 0.808 | 70% | 0.702 | S | S | * | * | trans | 30.2 | 90.6 | 164 | -63.6 | -177.8 | 3.7 | 0 | 0 | 115.8 | D60 | Q58-D60 PolarHBondContact O-N 3.26Å; Q58-D60 VanDerWaalsContact O-N 3.12Å | ||
| 59 | Q | 40.3 | Very low | 43.6 | Very low | 165 Ų | 165 | 119.2 Ų | 119.2 | 77% | 0.771 | 67% | 0.669 | S | S | * | * | trans | -61.9 | 112.7 | 158.7 | -64.2 | 178 | 13.7 | 0 | 0 | 107.1 | L61 | Q59-L61 PolarHBondContact O-N 2.91Å; Q59-L61 VanDerWaalsContact O-N 3.08Å | ||
| 60 | D | 41 | Very low | 44.1 | Very low | 89 Ų | 89 | 116.4 Ų | 116.4 | 48% | 0.476 | 66% | 0.657 | S | S | . | * | trans | -63.2 | 110.1 | 173.9 | -154.6 | -14 | 0 | 0 | 0 | 107.9 | Q58 F62 D63 | Q58-D60 PolarHBondContact O-N 3.26Å; Q58-D60 VanDerWaalsContact O-N 3.12Å; D60-F62 PolarHBondContact O-N 3.16Å; D60-D63 HydrophobicContact CB-CB 4.39Å; D60-D63 PolarHBondContact O-N 3.14Å; D60-D63 VanDerWaalsContact O-N 3.08Å | ||
| 61 | L | 48.1 | Very low | 45.1 | Very low | 149 Ų | 149 | 111 Ų | 111 | 78% | 0.78 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -16.5 | -176.6 | -85 | 151 | 0 | 0 | 0 | 112.2 | Q59 | Q59-L61 PolarHBondContact O-N 2.91Å; Q59-L61 VanDerWaalsContact O-N 3.08Å |
| 62 | F | 39.8 | Very low | 45.6 | Very low | 165 Ų | 165 | 117.4 Ų | 117.4 | 72% | 0.724 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -24.5 | 178.4 | -67.3 | -82.6 | 0 | 0 | 0 | 114.1 | D60 Q65 | D60-F62 PolarHBondContact O-N 3.16Å; F62-Q65 WeakPolarHBondContact O-CB 3.39Å; F62-Q65 PolarHBondContact O-N 3.17Å |
| 63 | D | 48.8 | Very low | 46.3 | Very low | 102 Ų | 102 | 113.5 Ų | 113.5 | 55% | 0.545 | 63% | 0.632 | S | S | . | * | G | 310 helix | trans | -80.9 | -23.5 | -175.3 | -80.4 | -17.8 | 0 | 0 | 0 | 113.6 | D60 Q65 R67 | D60-D63 HydrophobicContact CB-CB 4.39Å; D60-D63 PolarHBondContact O-N 3.14Å; D60-D63 VanDerWaalsContact O-N 3.08Å; D63-Q65 PolarHBondContact O-N 3.45Å; D63-R67 VanDerWaalsContact O-CB 3.28Å; D63-R67 WeakPolarHBondContact O-CB 3.4Å |
| 64 | N | 52.3 | Low | 47.2 | Very low | 82 Ų | 82 | 110.8 Ų | 110.8 | 44% | 0.439 | 63% | 0.632 | S | S | . | * | G | 310 helix | trans | -73.1 | -12.4 | 176.1 | -68.6 | -11.5 | 0 | 0 | 0 | 112.6 | ||
| 65 | Q | 51 | Low | 48.4 | Very low | 71 Ų | 71 | 114.9 Ų | 114.9 | 33% | 0.332 | 63% | 0.634 | S | S | . | * | G | 310 helix | trans | -88.6 | -20.3 | -170 | -165.6 | 76.3 | 74.4 | 0 | 0 | 111.7 | F62 D63 P82 M84 | F62-Q65 WeakPolarHBondContact O-CB 3.39Å; F62-Q65 PolarHBondContact O-N 3.17Å; D63-Q65 PolarHBondContact O-N 3.45Å; Q65-P82 WeakPolarHBondContact O-CB 3.28Å; Q65-M84 HydrophobicContact CB-CE 4.49Å; Q65-M84 HydrophobicContact CB-SD 4.37Å; Q65-M84 HydrophobicContact CG-CE 3.29Å; Q65-M84 HydrophobicContact CG-SD 3.36Å; Q65-M84 WeakPolarHBondContact CG-SD 3.44Å; Q65-M84 PolarHBondContact NE2-SD 2.88Å |
| 66 | W | 49.9 | Very low | 49.9 | Very low | 196 Ų | 196 | 113 Ų | 113 | 74% | 0.742 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | -2.1 | -178.8 | -63.9 | 79.6 | 0 | 0 | 0 | 114.1 | M84 | W66-M84 HydrophobicContact CZ2-CE 4.04Š|
| 67 | R | 56.2 | Low | 50.5 | Low | 156 Ų | 156 | 113.5 Ų | 113.5 | 59% | 0.589 | 60% | 0.597 | S | S | * | * | trans | -87.7 | 117.1 | -174.4 | -166.5 | 179 | 70.9 | -163.5 | -2.9 | 111.6 | D63 G69 | D63-R67 VanDerWaalsContact O-CB 3.28Å; D63-R67 WeakPolarHBondContact O-CB 3.4Å; R67-G69 PolarHBondContact O-N 3.41Å | ||
| 68 | F | 58.8 | Low | 51.6 | Low | 99 Ų | 99 | 117.5 Ų | 117.5 | 43% | 0.434 | 59% | 0.592 | S | S | . | * | trans | -66.8 | 113.9 | 163.2 | -81.8 | -91.8 | 0 | 0 | 0 | 109.5 | F70 I79 E81 P82 | F68-F70 HydrophobicContact CB-CE2 4Å; F68-I79 HydrophobicContact CD1-CG2 4.37Å; F68-E81 HydrophobicContact CE1-CG 4.4Å; F68-P82 HydrophobicContact CD2-CG 4.14Å; F68-P82 HydrophobicContact CE2-CG 4.02Å; F68-P82 HydrophobicContact CZ-CG 4.35Å | ||
| 69 | G | 56.3 | Low | 52.6 | Low | 18 Ų | 18 | 114.2 Ų | 114.2 | 19% | 0.186 | 58% | 0.578 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.6 | 107.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | R67 I79 Q80 | R67-G69 PolarHBondContact O-N 3.41Å; G69-I79 CarbonylContact O-C 3.6Å; G69-Q80 PolarHBondContact N-O 3.14Å; G69-Q80 VanDerWaalsContact N-O 3.11Å; G69-Q80 PolarHBondContact O-N 3.44Å |
| 70 | F | 51.1 | Low | 53.2 | Low | 145 Ų | 145 | 112 Ų | 112 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 118.9 | 165.9 | -59.7 | -89.1 | 0 | 0 | 0 | 107.7 | F68 R78 I79 | F68-F70 HydrophobicContact CB-CE2 4Å; F70-R78 WeakPolarHBondContact CA-O 3.21Å; F70-I79 HydrophobicContact CD1-CB 4.45Å; F70-I79 HydrophobicContact CD1-CD1 4.3Å; F70-I79 HydrophobicContact CD1-CG1 3.75Å; F70-I79 HydrophobicContact CD1-CG2 4.32Å; F70-I79 HydrophobicContact CE1-CB 4.34Å; F70-I79 HydrophobicContact CE1-CD1 3.78Å; F70-I79 HydrophobicContact CE1-CG1 3.68Å; F70-I79 HydrophobicContact CE1-CG2 3.88Å; F70-I79 HydrophobicContact CZ-CG2 4.33Å |
| 71 | S | 55.4 | Low | 53.9 | Low | 40 Ų | 40 | 112.7 Ų | 112.7 | 28% | 0.28 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.1 | 164.8 | 47.5 | 0 | 0 | 0 | 0 | 110 | R78 | S71-R78 PolarHBondContact N-O 2.8Å; S71-R78 VanDerWaalsContact O-CG 3.27Å; S71-R78 WeakPolarHBondContact O-CG 3.3Å; S71-R78 PolarHBondContact O-N 3.34Å; S71-R78 WeakPolarHBondContact OG-CD 3.41Å; S71-R78 WeakPolarHBondContact OG-CG 3.33Å; S71-R78 PolarHBondContact OG-NE 2.82Å; S71-R78 PolarHBondContact OG-NH1 2.77Å |
| 72 | M | 44.3 | Very low | 54.6 | Low | 171 Ų | 171 | 106.1 Ų | 106.1 | 84% | 0.842 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 111.9 | 178.1 | -168.1 | 164.5 | -172.6 | 0 | 0 | 107.3 | V77 | M72-V77 HydrophobicContact CG-CG1 4.27Å; M72-V77 HydrophobicContact SD-CG1 4.42Å |
| 73 | G | 59 | Low | 55.6 | Low | 38 Ų | 38 | 106.1 Ų | 106.1 | 39% | 0.392 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 175.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | N75 G76 | G73-N75 PolarHBondContact O-N 3.03Å; G73-G76 PolarHBondContact N-O 2.83Å; G73-G76 PolarHBondContact O-N 3.22Å |
| 74 | P | 59.9 | Low | 56.1 | Low | 141 Ų | 141 | 103.8 Ų | 103.8 | 92% | 0.916 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -12.4 | 176.6 | 21.3 | -31.4 | 0 | 0 | 0 | 114 | ||
| 75 | N | 57.8 | Low | 56.5 | Low | 169 Ų | 169 | 104.1 Ų | 104.1 | 90% | 0.904 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 12.7 | 177.2 | -63.2 | -4.9 | 0 | 0 | 0 | 113.9 | G73 | G73-N75 PolarHBondContact O-N 3.03Š|
| 76 | G | 60.2 | Low | 56.9 | Low | 39 Ų | 39 | 102.1 Ų | 102.1 | 40% | 0.402 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 102 | -171.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G73 | G73-G76 PolarHBondContact N-O 2.83Å; G73-G76 PolarHBondContact O-N 3.22Å |
| 77 | V | 56.3 | Low | 57.3 | Low | 107 Ų | 107 | 98.8 Ų | 98.8 | 65% | 0.648 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 121.2 | 177.9 | -66.4 | 0 | 0 | 0 | 0 | 110.1 | M72 | M72-V77 HydrophobicContact CG-CG1 4.27Å; M72-V77 HydrophobicContact SD-CG1 4.42Å |
| 78 | R | 56.9 | Low | 57.4 | Low | 153 Ų | 153 | 97.4 Ų | 97.4 | 58% | 0.577 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.2 | 168.8 | 55.4 | 177.3 | -85.6 | -123.3 | 6.8 | 108.8 | F70 S71 | F70-R78 WeakPolarHBondContact CA-O 3.21Å; S71-R78 PolarHBondContact N-O 2.8Å; S71-R78 VanDerWaalsContact O-CG 3.27Å; S71-R78 WeakPolarHBondContact O-CG 3.3Å; S71-R78 PolarHBondContact O-N 3.34Å; S71-R78 WeakPolarHBondContact OG-CD 3.41Å; S71-R78 WeakPolarHBondContact OG-CG 3.33Å; S71-R78 PolarHBondContact OG-NE 2.82Å; S71-R78 PolarHBondContact OG-NH1 2.77Å |
| 79 | I | 60.3 | Low | 57.4 | Low | 104 Ų | 104 | 98.3 Ų | 98.3 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 119.9 | 177.2 | -51.4 | 178.6 | 0 | 0 | 0 | 106.7 | F68 G69 F70 | F68-I79 HydrophobicContact CD1-CG2 4.37Å; G69-I79 CarbonylContact O-C 3.6Å; F70-I79 HydrophobicContact CD1-CB 4.45Å; F70-I79 HydrophobicContact CD1-CD1 4.3Å; F70-I79 HydrophobicContact CD1-CG1 3.75Å; F70-I79 HydrophobicContact CD1-CG2 4.32Å; F70-I79 HydrophobicContact CE1-CB 4.34Å; F70-I79 HydrophobicContact CE1-CD1 3.78Å; F70-I79 HydrophobicContact CE1-CG1 3.68Å; F70-I79 HydrophobicContact CE1-CG2 3.88Å; F70-I79 HydrophobicContact CZ-CG2 4.33Å |
| 80 | Q | 53.5 | Low | 57.7 | Low | 119 Ų | 119 | 104.4 Ų | 104.4 | 56% | 0.556 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 106.4 | 171 | -168.8 | 161.7 | 29.1 | 0 | 0 | 107.7 | G69 | G69-Q80 PolarHBondContact N-O 3.14Å; G69-Q80 VanDerWaalsContact N-O 3.11Å; G69-Q80 PolarHBondContact O-N 3.44Å |
| 81 | E | 55.9 | Low | 57.9 | Low | 102 Ų | 102 | 102.5 Ų | 102.5 | 48% | 0.477 | 53% | 0.525 | S | S | . | . | trans | -79.5 | 141.4 | 176.1 | -173.3 | -179.3 | -167.9 | 0 | 0 | 110.1 | F68 F85 | F68-E81 HydrophobicContact CE1-CG 4.4Å; E81-F85 HydrophobicContact CG-CB 3.89Å; E81-F85 HydrophobicContact CG-CG 4.36Å; E81-F85 VanDerWaalsContact OE1-CB 3.24Å; E81-F85 WeakPolarHBondContact OE1-CB 3.44Å; E81-F85 WeakPolarHBondContact OE1-CD1 3.04Å; E81-F85 WeakPolarHBondContact OE1-CG 3.38Å | ||
| 82 | P | 63.6 | Low | 58.1 | Low | 11 Ų | 11 | 105.7 Ų | 105.7 | 7% | 0.071 | 54% | 0.537 | C | S | . | . | trans | -69.5 | 141.2 | 179 | -10.7 | 24.6 | 0 | 0 | 0 | 112.5 | Q65 F68 M84 F85 | Q65-P82 WeakPolarHBondContact O-CB 3.28Å; F68-P82 HydrophobicContact CD2-CG 4.14Å; F68-P82 HydrophobicContact CE2-CG 4.02Å; F68-P82 HydrophobicContact CZ-CG 4.35Å; P82-M84 HydrophobicContact CB-CG 4.28Å; P82-M84 PolarHBondContact O-N 3.03Å; P82-F85 WeakPolarHBondContact O-CB 3.36Å; P82-F85 PolarHBondContact O-N 3.04Å | ||
| 83 | E | 60.9 | Low | 58.7 | Low | 165 Ų | 165 | 103.3 Ų | 103.3 | 77% | 0.771 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.7 | -172.9 | -69.2 | -179.6 | 160.5 | 0 | 0 | 114.8 | F85 | E83-F85 VanDerWaalsContact C-N 3.3Å; E83-F85 PolarHBondContact O-N 3.13Å |
| 84 | M | 58.8 | Low | 58.7 | Low | 53 Ų | 53 | 106.7 Ų | 106.7 | 26% | 0.261 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -24.9 | 175.7 | 18.2 | -81.2 | -80.6 | 0 | 0 | 113.9 | Q65 W66 P82 G86 Q87 F88 | Q65-M84 HydrophobicContact CB-CE 4.49Å; Q65-M84 HydrophobicContact CB-SD 4.37Å; Q65-M84 HydrophobicContact CG-CE 3.29Å; Q65-M84 HydrophobicContact CG-SD 3.36Å; Q65-M84 WeakPolarHBondContact CG-SD 3.44Å; Q65-M84 PolarHBondContact NE2-SD 2.88Å; W66-M84 HydrophobicContact CZ2-CE 4.04Å; P82-M84 HydrophobicContact CB-CG 4.28Å; P82-M84 PolarHBondContact O-N 3.03Å; M84-G86 PolarHBondContact O-N 2.74Å; M84-Q87 WeakPolarHBondContact O-CA 3.06Å; M84-Q87 WeakPolarHBondContact O-CB 3.48Å; M84-Q87 PolarHBondContact O-N 3.19Å; M84-F88 PolarHBondContact O-N 2.94Å; M84-F88 VanDerWaalsContact O-N 3.12Å |
| 85 | F | 59.3 | Low | 58.4 | Low | 89 Ų | 89 | 106.9 Ų | 106.9 | 39% | 0.39 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.5 | -32.4 | -177.2 | -134.4 | -90.5 | 0 | 0 | 0 | 110.5 | E81 P82 E83 Q87 F88 F89 | E81-F85 HydrophobicContact CG-CB 3.89Å; E81-F85 HydrophobicContact CG-CG 4.36Å; E81-F85 VanDerWaalsContact OE1-CB 3.24Å; E81-F85 WeakPolarHBondContact OE1-CB 3.44Å; E81-F85 WeakPolarHBondContact OE1-CD1 3.04Å; E81-F85 WeakPolarHBondContact OE1-CG 3.38Å; P82-F85 WeakPolarHBondContact O-CB 3.36Å; P82-F85 PolarHBondContact O-N 3.04Å; E83-F85 VanDerWaalsContact C-N 3.3Å; E83-F85 PolarHBondContact O-N 3.13Å; F85-Q87 PolarHBondContact O-N 2.89Å; F85-F88 PolarHBondContact O-N 3.27Å; F85-F89 HydrophobicContact CD1-CD2 4Å; F85-F89 AromaticContact CD1-CE2 3.38Å; F85-F89 HydrophobicContact CD1-CE2 3.38Å; F85-F89 HydrophobicContact CD1-CZ 4.01Å; F85-F89 AromaticContact CE1-CE2 3.71Å; F85-F89 HydrophobicContact CE1-CE2 3.71Å; F85-F89 AromaticContact CE1-CZ 3.84Å; F85-F89 HydrophobicContact CE1-CZ 3.84Å; F85-F89 WeakPolarHBondContact O-CD2 3.39Å; F85-F89 PolarHBondContact O-N 2.89Å; F85-F89 VanDerWaalsContact O-N 3.14Å |
| 86 | G | 60.4 | Low | 58.2 | Low | 30 Ų | 30 | 102.8 Ų | 102.8 | 31% | 0.309 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -23.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | M84 R90 | M84-G86 PolarHBondContact O-N 2.74Å; G86-R90 VanDerWaalsContact O-CG 3.32Å; G86-R90 WeakPolarHBondContact O-CG 2.81Å; G86-R90 PolarHBondContact O-N 3.14Å; G86-R90 PolarHBondContact O-NH1 3.12Å |
| 87 | Q | 58.7 | Low | 57.7 | Low | 126 Ų | 126 | 107.3 Ų | 107.3 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -83.2 | -34.1 | 176.3 | -159.6 | 162.7 | 7.6 | 0 | 0 | 111.9 | M84 F85 R90 E91 | M84-Q87 WeakPolarHBondContact O-CA 3.06Å; M84-Q87 WeakPolarHBondContact O-CB 3.48Å; M84-Q87 PolarHBondContact O-N 3.19Å; F85-Q87 PolarHBondContact O-N 2.89Å; Q87-R90 PolarHBondContact O-N 3.24Å; Q87-E91 PolarHBondContact O-N 2.78Å |
| 88 | F | 57.2 | Low | 57.1 | Low | 127 Ų | 127 | 108.2 Ų | 108.2 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | 172.8 | -129.8 | -88.2 | 0 | 0 | 0 | 112.1 | M84 F85 E91 M92 | M84-F88 PolarHBondContact O-N 2.94Å; M84-F88 VanDerWaalsContact O-N 3.12Å; F85-F88 PolarHBondContact O-N 3.27Å; F88-E91 PolarHBondContact O-N 2.91Å; F88-M92 HydrophobicContact CD1-CE 4.04Å; F88-M92 HydrophobicContact CE1-CE 4.33Å; F88-M92 PolarHBondContact O-N 2.86Å |
| 89 | F | 59.8 | Low | 56.8 | Low | 118 Ų | 118 | 104.2 Ų | 104.2 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.3 | -37.1 | 173.8 | -74.4 | -61 | 0 | 0 | 0 | 112.9 | F85 E91 M92 E93 | F85-F89 HydrophobicContact CD1-CD2 4Å; F85-F89 AromaticContact CD1-CE2 3.38Å; F85-F89 HydrophobicContact CD1-CE2 3.38Å; F85-F89 HydrophobicContact CD1-CZ 4.01Å; F85-F89 AromaticContact CE1-CE2 3.71Å; F85-F89 HydrophobicContact CE1-CE2 3.71Å; F85-F89 AromaticContact CE1-CZ 3.84Å; F85-F89 HydrophobicContact CE1-CZ 3.84Å; F85-F89 WeakPolarHBondContact O-CD2 3.39Å; F85-F89 PolarHBondContact O-N 2.89Å; F85-F89 VanDerWaalsContact O-N 3.14Å; F89-E91 VanDerWaalsContact C-N 3.26Å; F89-E91 PolarHBondContact O-N 2.76Å; F89-M92 PolarHBondContact O-N 2.79Å; F89-E93 PolarHBondContact O-N 3.47Å |
| 90 | R | 61.4 | Low | 56.3 | Low | 146 Ų | 146 | 109.2 Ų | 109.2 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.5 | -32.6 | 171 | -76.5 | -170 | -59.6 | -97.5 | 5.5 | 112.2 | G86 Q87 E93 I94 | G86-R90 VanDerWaalsContact O-CG 3.32Å; G86-R90 WeakPolarHBondContact O-CG 2.81Å; G86-R90 PolarHBondContact O-N 3.14Å; G86-R90 PolarHBondContact O-NH1 3.12Å; Q87-R90 PolarHBondContact O-N 3.24Å; R90-E93 VanDerWaalsContact O-CB 3.31Å; R90-E93 WeakPolarHBondContact O-CB 3.45Å; R90-E93 PolarHBondContact O-N 3.3Å; R90-I94 WeakPolarHBondContact O-CG1 3.37Å |
| 91 | E | 57.2 | Low | 55.6 | Low | 105 Ų | 105 | 113.3 Ų | 113.3 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -72.2 | -38.5 | 175.8 | -165.8 | 171.6 | 178.5 | 0 | 0 | 112.1 | Q87 F88 F89 E93 I94 F95 | Q87-E91 PolarHBondContact O-N 2.78Å; F88-E91 PolarHBondContact O-N 2.91Å; F89-E91 VanDerWaalsContact C-N 3.26Å; F89-E91 PolarHBondContact O-N 2.76Å; E91-E93 PolarHBondContact O-N 2.9Å; E91-I94 HydrophobicContact CB-CD1 4.34Å; E91-I94 HydrophobicContact CG-CD1 3.9Å; E91-I94 VanDerWaalsContact O-CB 3.31Å; E91-I94 WeakPolarHBondContact O-CB 3.42Å; E91-I94 VanDerWaalsContact O-CG1 3.25Å; E91-I94 WeakPolarHBondContact O-CG1 3.33Å; E91-I94 PolarHBondContact O-N 3.34Å; E91-I94 VanDerWaalsContact O-N 3.12Å; E91-F95 WeakPolarHBondContact O-CD2 2.98Å |
| 92 | M | 59.3 | Low | 54.8 | Low | 106 Ų | 106 | 116.4 Ų | 116.4 | 52% | 0.522 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.9 | -24.1 | 170.1 | -68.2 | -164.2 | -161.6 | 0 | 0 | 113.3 | F88 F89 I94 F95 S96 | F88-M92 HydrophobicContact CD1-CE 4.04Å; F88-M92 HydrophobicContact CE1-CE 4.33Å; F88-M92 PolarHBondContact O-N 2.86Å; F89-M92 PolarHBondContact O-N 2.79Å; M92-I94 VanDerWaalsContact C-N 3.28Å; M92-I94 PolarHBondContact O-N 3.11Å; M92-F95 WeakPolarHBondContact O-CB 3.35Å; M92-F95 PolarHBondContact O-N 3.43Å; M92-S96 PolarHBondContact O-N 3.11Å; M92-S96 PolarHBondContact O-OG 2.99Å |
| 93 | E | 56.6 | Low | 53.4 | Low | 122 Ų | 122 | 118.3 Ų | 118.3 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.5 | -29.5 | 171.9 | -164.6 | 173.2 | -177.4 | 0 | 0 | 112.1 | F89 R90 E91 F95 S96 Q97 | F89-E93 PolarHBondContact O-N 3.47Å; R90-E93 VanDerWaalsContact O-CB 3.31Å; R90-E93 WeakPolarHBondContact O-CB 3.45Å; R90-E93 PolarHBondContact O-N 3.3Å; E91-E93 PolarHBondContact O-N 2.9Å; E93-F95 VanDerWaalsContact C-N 3.29Å; E93-F95 PolarHBondContact O-N 3.19Å; E93-S96 WeakPolarHBondContact O-CA 3.44Å; E93-S96 WeakPolarHBondContact O-CB 3.4Å; E93-S96 PolarHBondContact O-N 3.49Å; E93-Q97 PolarHBondContact O-N 3.38Å |
| 94 | I | 58.3 | Low | 52.5 | Low | 109 Ų | 109 | 119 Ų | 119 | 56% | 0.559 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.9 | -36.9 | 174.3 | -38.4 | 169.4 | 0 | 0 | 0 | 110.3 | R90 E91 M92 S96 Q97 | R90-I94 WeakPolarHBondContact O-CG1 3.37Å; E91-I94 HydrophobicContact CB-CD1 4.34Å; E91-I94 HydrophobicContact CG-CD1 3.9Å; E91-I94 VanDerWaalsContact O-CB 3.31Å; E91-I94 WeakPolarHBondContact O-CB 3.42Å; E91-I94 VanDerWaalsContact O-CG1 3.25Å; E91-I94 WeakPolarHBondContact O-CG1 3.33Å; E91-I94 PolarHBondContact O-N 3.34Å; E91-I94 VanDerWaalsContact O-N 3.12Å; M92-I94 VanDerWaalsContact C-N 3.28Å; M92-I94 PolarHBondContact O-N 3.11Å; I94-S96 PolarHBondContact O-N 3.35Å; I94-Q97 PolarHBondContact O-N 2.95Å |
| 95 | F | 53.8 | Low | 51.1 | Low | 144 Ų | 144 | 126.8 Ų | 126.8 | 63% | 0.632 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70 | -21 | 173.5 | -71.2 | -86.4 | 0 | 0 | 0 | 112.9 | E91 M92 E93 Q97 L98 | E91-F95 WeakPolarHBondContact O-CD2 2.98Å; M92-F95 WeakPolarHBondContact O-CB 3.35Å; M92-F95 PolarHBondContact O-N 3.43Å; E93-F95 VanDerWaalsContact C-N 3.29Å; E93-F95 PolarHBondContact O-N 3.19Å; F95-Q97 VanDerWaalsContact C-N 3.27Å; F95-Q97 PolarHBondContact O-N 3.46Å; F95-L98 PolarHBondContact O-N 3.42Å |
| 96 | S | 54.4 | Low | 49.9 | Very low | 83 Ų | 83 | 126 Ų | 126 | 58% | 0.58 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.5 | -20.8 | 174.3 | -52.5 | 0 | 0 | 0 | 0 | 112.3 | M92 E93 I94 | M92-S96 PolarHBondContact O-N 3.11Å; M92-S96 PolarHBondContact O-OG 2.99Å; E93-S96 WeakPolarHBondContact O-CA 3.44Å; E93-S96 WeakPolarHBondContact O-CB 3.4Å; E93-S96 PolarHBondContact O-N 3.49Å; I94-S96 PolarHBondContact O-N 3.35Å |
| 97 | Q | 49.8 | Very low | 48.9 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 63% | 0.631 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -81.2 | -22.1 | 171.3 | -86.6 | 169.3 | 43 | 0 | 0 | 113.4 | E93 I94 F95 G99 R100 | E93-Q97 PolarHBondContact O-N 3.38Å; I94-Q97 PolarHBondContact O-N 2.95Å; F95-Q97 VanDerWaalsContact C-N 3.27Å; F95-Q97 PolarHBondContact O-N 3.46Å; Q97-G99 PolarHBondContact O-N 2.83Å; Q97-R100 PolarHBondContact O-N 3.35Å |
| 98 | L | 44 | Very low | 47.7 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 66% | 0.66 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -13.4 | 177 | -163.7 | 60.9 | 0 | 0 | 0 | 112.9 | F95 R100 | F95-L98 PolarHBondContact O-N 3.42Å; L98-R100 PolarHBondContact O-N 2.75Å |
| 99 | G | 49.5 | Very low | 46.9 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 7.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q97 | Q97-G99 PolarHBondContact O-N 2.83Š|
| 100 | R | 49.2 | Very low | 45.6 | Very low | 209 Ų | 209 | 136.8 Ų | 136.8 | 79% | 0.789 | 71% | 0.709 | S | S | * | * | trans | -103.2 | 32.7 | -175.3 | -64.6 | -158.8 | -179.8 | -127 | 3.3 | 115.2 | Q97 L98 | Q97-R100 PolarHBondContact O-N 3.35Å; L98-R100 PolarHBondContact O-N 2.75Å | ||
| 101 | Y | 40.7 | Very low | 44.3 | Very low | 205 Ų | 205 | 132.9 Ų | 132.9 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | -132.8 | 85.2 | 167.2 | -61.3 | -82.4 | 0 | 0 | 0 | 110.1 | ||||
| 102 | D | 37.4 | Very low | 43.2 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | -163.3 | 139.3 | 121.9 | -155.9 | 5.4 | 0 | 0 | 0 | 110.5 | |||||
| 103 | G | 34.4 | Very low | 42.2 | Very low | 52 Ų | 52 | 136 Ų | 136 | 54% | 0.536 | 75% | 0.747 | S | S | . | * | trans | -79.2 | 140.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 104 | Q | 41.4 | Very low | 41 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | 85.4 | 69.7 | 125.9 | -151.5 | 143.9 | 30.3 | 0 | 0 | 118.4 | |||||
| 105 | F | 30.8 | Very low | 40 | Very low | 217 Ų | 217 | 138.6 Ų | 138.6 | 95% | 0.952 | 77% | 0.773 | S | S | * | * | trans | -139.2 | 137.5 | 141.6 | -73 | -77.1 | 0 | 0 | 0 | 110.5 | ||||
| 106 | G | 33.2 | Very low | 39.3 | Very low | 72 Ų | 72 | 140.2 Ų | 140.2 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -76.3 | 157.1 | -163.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 107 | V | 40.9 | Very low | 38.6 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 96% | 0.964 | 79% | 0.788 | S | S | * | * | trans | 49 | 96.5 | 150 | -157.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 108 | G | 33.3 | Very low | 38.1 | Very low | 62 Ų | 62 | 140.1 Ų | 140.1 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | trans | -174.9 | 102.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F110 | G108-F110 PolarHBondContact O-N 2.75Š| ||
| 109 | Q | 39.3 | Very low | 37.6 | Very low | 200 Ų | 200 | 141.9 Ų | 141.9 | 94% | 0.935 | 81% | 0.808 | S | S | * | * | trans | -72.5 | 104.9 | -172.4 | -172.8 | 165.6 | 0.7 | 0 | 0 | 111.9 | ||||
| 110 | F | 32 | Very low | 37 | Very low | 206 Ų | 206 | 143.5 Ų | 143.5 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -97 | 93.5 | 165.3 | -78.9 | -84.8 | 0 | 0 | 0 | 109.4 | G108 | G108-F110 PolarHBondContact O-N 2.75Š| ||
| 111 | G | 34.3 | Very low | 36.4 | Very low | 65 Ų | 65 | 142.3 Ų | 142.3 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | trans | -85.6 | 119.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | T113 | G111-T113 PolarHBondContact O-N 2.83Š| ||
| 112 | V | 35.6 | Very low | 35.9 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -75.6 | 117.4 | 168 | -170.6 | 0 | 0 | 0 | 0 | 107.2 | S114 | V112-S114 PolarHBondContact O-N 3.5Š| ||
| 113 | T | 36.4 | Very low | 35.7 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -78.3 | 109.8 | 177.1 | 36.7 | 0 | 0 | 0 | 0 | 110.2 | G111 | G111-T113 PolarHBondContact O-N 2.83Š| ||
| 114 | S | 32.8 | Very low | 35.7 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -65.9 | 131.7 | 164.8 | -173 | 0 | 0 | 0 | 0 | 109.5 | V112 E116 | V112-S114 PolarHBondContact O-N 3.5Å; S114-E116 PolarHBondContact O-N 3.44Å | ||
| 115 | I | 37.5 | Very low | 35.7 | Very low | 170 Ų | 170 | 145 Ų | 145 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | trans | -75.3 | 101.5 | 177.4 | -69.9 | 159.8 | 0 | 0 | 0 | 108.3 | ||||
| 116 | E | 38.2 | Very low | 35.8 | Very low | 178 Ų | 178 | 144.8 Ų | 144.8 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 127.1 | 165.4 | -173.8 | 169.5 | 174.5 | 0 | 0 | 108.8 | S114 | S114-E116 PolarHBondContact O-N 3.44Š|
| 117 | A | 40.5 | Very low | 35.7 | Very low | 84 Ų | 84 | 144.9 Ų | 144.9 | 69% | 0.694 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 134 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L119 | A117-L119 PolarHBondContact O-N 3.13Š|
| 118 | P | 39.2 | Very low | 35.8 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 125.9 | -177.7 | 29.3 | -31.1 | 0 | 0 | 0 | 112.1 | ||
| 119 | L | 32.1 | Very low | 35.9 | Very low | 164 Ų | 164 | 142 Ų | 142 | 86% | 0.859 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 144.3 | 165.4 | -79.5 | 154.6 | 0 | 0 | 0 | 111.5 | A117 | A117-L119 PolarHBondContact O-N 3.13Š|
| 120 | S | 38.3 | Very low | 36.3 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 71% | 0.706 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66 | 134.1 | 176.1 | 47.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 121 | Q | 35.6 | Very low | 36.9 | Very low | 184 Ų | 184 | 132.2 Ų | 132.2 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | 63 | 107.9 | 131.2 | -166.1 | 172.1 | -17.6 | 0 | 0 | 118.6 | ||||
| 122 | D | 31.1 | Very low | 37.8 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | -171.1 | 148.6 | 108.2 | -167.3 | 22.8 | 0 | 0 | 0 | 111.5 | |||||
| 123 | R | 31.8 | Very low | 39 | Very low | 217 Ų | 217 | 130.4 Ų | 130.4 | 82% | 0.819 | 81% | 0.809 | S | S | * | * | trans | 84.6 | 93.3 | 152.3 | -148.5 | 173.1 | -171.5 | 158.3 | 1.9 | 119.6 | ||||
| 124 | S | 36 | Very low | 40.4 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | 172.6 | 134.2 | 93.1 | -164.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 125 | E | 41.7 | Very low | 42.3 | Very low | 185 Ų | 185 | 124.8 Ų | 124.8 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | trans | -69.4 | 155.5 | -179 | -55.7 | 164.4 | 133.8 | 0 | 0 | 112.1 | ||||
| 126 | K | 33 | Very low | 43.7 | Very low | 214 Ų | 214 | 123.4 Ų | 123.4 | 93% | 0.93 | 76% | 0.764 | S | S | * | * | trans | 122.8 | 107.2 | 140.2 | -160.3 | 172.5 | -173.7 | 177.2 | 0 | 115.3 | ||||
| 127 | G | 29.8 | Very low | 45.3 | Very low | 74 Ų | 74 | 123.9 Ų | 123.9 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | trans | 145.9 | 87.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 128 | G | 42.3 | Very low | 46.6 | Very low | 91 Ų | 91 | 123.3 Ų | 123.3 | 94% | 0.938 | 74% | 0.743 | S | S | * | * | trans | -63.5 | 137 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 129 | G | 35.5 | Very low | 47.8 | Very low | 70 Ų | 70 | 123 Ų | 123 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | trans | -171.6 | 106 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | S131 | G129-S131 PolarHBondContact O-N 3.14Š| ||
| 130 | G | 47.8 | Very low | 49.7 | Very low | 83 Ų | 83 | 122.5 Ų | 122.5 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | trans | -52.1 | 108.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S132 | G130-S132 PolarHBondContact O-N 3.3Å; G130-S132 VanDerWaalsContact O-N 3.1Å | ||
| 131 | S | 45.5 | Very low | 51.2 | Low | 117 Ų | 117 | 123.6 Ų | 123.6 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | -74.2 | 98 | 165.2 | -171.2 | 0 | 0 | 0 | 0 | 106.5 | G129 G133 | G129-S131 PolarHBondContact O-N 3.14Å; S131-G133 PolarHBondContact O-N 3.16Å | ||
| 132 | S | 53.9 | Low | 53 | Low | 99 Ų | 99 | 120.5 Ų | 120.5 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | trans | -51.7 | 109.8 | 174.1 | 52.2 | 0 | 0 | 0 | 0 | 108.4 | G130 N134 | G130-S132 PolarHBondContact O-N 3.3Å; G130-S132 VanDerWaalsContact O-N 3.1Å; S132-N134 PolarHBondContact O-N 3.49Å; S132-N134 PolarHBondContact O-OD1 3.27Å; S132-N134 VanDerWaalsContact O-OD1 3.13Å | ||
| 133 | G | 60.3 | Low | 54.6 | Low | 73 Ų | 73 | 115.5 Ų | 115.5 | 75% | 0.753 | 69% | 0.687 | S | S | * | * | trans | -73.4 | 112.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111 | S131 | S131-G133 PolarHBondContact O-N 3.16Š| ||
| 134 | N | 65 | Low | 55.8 | Low | 68 Ų | 68 | 111.1 Ų | 111.1 | 36% | 0.364 | 69% | 0.686 | S | S | . | * | trans | -145.6 | 97.3 | 155.1 | 27.7 | -21.6 | 0 | 0 | 0 | 105.6 | S132 D138 F139 | S132-N134 PolarHBondContact O-N 3.49Å; S132-N134 PolarHBondContact O-OD1 3.27Å; S132-N134 VanDerWaalsContact O-OD1 3.13Å; N134-D138 HydrophobicContact CB-CB 4.24Å; N134-F139 HydrophobicContact CB-CD2 4.12Å; N134-F139 HydrophobicContact CB-CE2 4.02Å; N134-F139 WeakPolarHBondContact ND2-CE2 3.14Å; N134-F139 WeakPolarHBondContact ND2-CZ 3.45Å | ||
| 135 | S | 72.9 | Confident | 56.5 | Low | 60 Ų | 60 | 112.5 Ų | 112.5 | 42% | 0.42 | 69% | 0.685 | S | S | . | * | trans | -62.2 | 156.9 | 168.9 | 66.5 | 0 | 0 | 0 | 0 | 108.6 | R137 D138 F139 | S135-R137 PolarHBondContact O-N 3.31Å; S135-R137 WeakPolarHBondContact OG-CB 3.41Å; S135-D138 PolarHBondContact N-OD2 2.93Å; S135-D138 WeakPolarHBondContact O-CA 3.36Å; S135-D138 WeakPolarHBondContact O-CB 3.49Å; S135-D138 PolarHBondContact O-N 2.79Å; S135-D138 PolarHBondContact OG-N 3.45Å; S135-D138 PolarHBondContact OG-OD2 3.33Å; S135-F139 PolarHBondContact O-N 3.48Å | ||
| 136 | L | 66.6 | Low | 57.2 | Low | 141 Ų | 141 | 108.8 Ų | 108.8 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -51.2 | -32.5 | 174.9 | -178.2 | 64.4 | 0 | 0 | 0 | 111.7 | D138 F139 M140 | L136-D138 VanDerWaalsContact C-N 3.35Å; L136-D138 PolarHBondContact O-N 3.01Å; L136-F139 PolarHBondContact O-N 3.25Å; L136-M140 WeakPolarHBondContact O-CG 3.27Å; L136-M140 PolarHBondContact O-N 3.28Å; L136-M140 VanDerWaalsContact O-N 3.16Å |
| 137 | R | 72.6 | Confident | 57.9 | Low | 188 Ų | 188 | 102.9 Ų | 102.9 | 71% | 0.709 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -59 | -41.7 | 173.1 | -165.1 | -174 | -171.1 | -173 | 3 | 112.5 | S135 F139 M140 L141 | S135-R137 PolarHBondContact O-N 3.31Å; S135-R137 WeakPolarHBondContact OG-CB 3.41Å; R137-F139 VanDerWaalsContact C-N 3.33Å; R137-F139 PolarHBondContact O-N 3.47Å; R137-M140 PolarHBondContact O-N 2.9Å; R137-L141 HydrophobicContact CG-CD1 3.94Å; R137-L141 WeakPolarHBondContact O-CB 3.44Å; R137-L141 VanDerWaalsContact O-CG 3.22Å; R137-L141 WeakPolarHBondContact O-CG 3.38Å; R137-L141 PolarHBondContact O-N 2.79Å; R137-L141 VanDerWaalsContact O-N 3.14Å |
| 138 | D | 67.2 | Low | 58.7 | Low | 71 Ų | 71 | 105.8 Ų | 105.8 | 38% | 0.38 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -70.5 | -30.3 | 179.3 | -61.8 | -43.6 | 0 | 0 | 0 | 112.3 | N134 S135 L136 L141 K142 | N134-D138 HydrophobicContact CB-CB 4.24Å; S135-D138 PolarHBondContact N-OD2 2.93Å; S135-D138 WeakPolarHBondContact O-CA 3.36Å; S135-D138 WeakPolarHBondContact O-CB 3.49Å; S135-D138 PolarHBondContact O-N 2.79Å; S135-D138 PolarHBondContact OG-N 3.45Å; S135-D138 PolarHBondContact OG-OD2 3.33Å; L136-D138 VanDerWaalsContact C-N 3.35Å; L136-D138 PolarHBondContact O-N 3.01Å; D138-L141 PolarHBondContact O-N 3.26Å; D138-K142 WeakPolarHBondContact O-CG 2.97Å; D138-K142 PolarHBondContact O-N 2.75Å |
| 139 | F | 65.6 | Low | 58.4 | Low | 127 Ų | 127 | 106.8 Ų | 106.8 | 56% | 0.557 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.3 | -35.9 | 172.9 | -96.2 | -79.2 | 0 | 0 | 0 | 112.6 | N134 S135 L136 R137 L141 | N134-F139 HydrophobicContact CB-CD2 4.12Å; N134-F139 HydrophobicContact CB-CE2 4.02Å; N134-F139 WeakPolarHBondContact ND2-CE2 3.14Å; N134-F139 WeakPolarHBondContact ND2-CZ 3.45Å; S135-F139 PolarHBondContact O-N 3.48Å; L136-F139 PolarHBondContact O-N 3.25Å; R137-F139 VanDerWaalsContact C-N 3.33Å; R137-F139 PolarHBondContact O-N 3.47Å; F139-L141 VanDerWaalsContact C-N 3.28Å |
| 140 | M | 71.9 | Confident | 58.2 | Low | 153 Ų | 153 | 106.8 Ų | 106.8 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74.9 | -19.5 | 177.2 | -67.8 | -178.4 | 65.2 | 0 | 0 | 113.1 | L136 R137 | L136-M140 WeakPolarHBondContact O-CG 3.27Å; L136-M140 PolarHBondContact O-N 3.28Å; L136-M140 VanDerWaalsContact O-N 3.16Å; R137-M140 PolarHBondContact O-N 2.9Å |
| 141 | L | 69 | Low | 57.6 | Low | 124 Ų | 124 | 108 Ų | 108 | 65% | 0.649 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -2.1 | -179 | -67.5 | 173.1 | 0 | 0 | 0 | 113.9 | R137 D138 F139 G143 | R137-L141 HydrophobicContact CG-CD1 3.94Å; R137-L141 WeakPolarHBondContact O-CB 3.44Å; R137-L141 VanDerWaalsContact O-CG 3.22Å; R137-L141 WeakPolarHBondContact O-CG 3.38Å; R137-L141 PolarHBondContact O-N 2.79Å; R137-L141 VanDerWaalsContact O-N 3.14Å; D138-L141 PolarHBondContact O-N 3.26Å; F139-L141 VanDerWaalsContact C-N 3.28Å; L141-G143 PolarHBondContact O-N 2.78Å |
| 142 | K | 74.4 | Confident | 56.9 | Low | 119 Ų | 119 | 109 Ų | 109 | 52% | 0.517 | 65% | 0.649 | S | S | . | * | trans | -74.2 | 119 | 174.7 | -81.5 | -178.5 | -177.7 | -156.4 | 0 | 110.9 | D138 | D138-K142 WeakPolarHBondContact O-CG 2.97Å; D138-K142 PolarHBondContact O-N 2.75Å | ||
| 143 | G | 64.6 | Low | 55.7 | Low | 36 Ų | 36 | 107.9 Ų | 107.9 | 37% | 0.371 | 65% | 0.653 | S | S | . | * | trans | -78.7 | 164.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L141 N145 D146 | L141-G143 PolarHBondContact O-N 2.78Å; G143-N145 PolarHBondContact O-N 2.76Å; G143-D146 PolarHBondContact N-OD2 3.33Å; G143-D146 PolarHBondContact O-N 3.35Å | ||
| 144 | P | 55.7 | Low | 54.4 | Low | 125 Ų | 125 | 112.5 Ų | 112.5 | 81% | 0.812 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -0.7 | 178.4 | 24.2 | -32.8 | 0 | 0 | 0 | 114.9 | ||
| 145 | N | 51.6 | Low | 53.6 | Low | 145 Ų | 145 | 114.5 Ų | 114.5 | 78% | 0.775 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -0.8 | -175.9 | -61.5 | -32.3 | 0 | 0 | 0 | 114 | G143 C147 | G143-N145 PolarHBondContact O-N 2.76Å; N145-C147 VanDerWaalsContact C-N 3.31Å; N145-C147 PolarHBondContact O-N 2.77Å; N145-C147 VanDerWaalsContact O-N 3.11Å |
| 146 | D | 57 | Low | 51.6 | Low | 106 Ų | 106 | 117.2 Ų | 117.2 | 57% | 0.567 | 70% | 0.695 | S | S | * | * | trans | -89.6 | 67.1 | 178.9 | -63.3 | -40.2 | 0 | 0 | 0 | 111.2 | G143 | G143-D146 PolarHBondContact N-OD2 3.33Å; G143-D146 PolarHBondContact O-N 3.35Å | ||
| 147 | C | 45.8 | Very low | 49.7 | Very low | 90 Ų | 90 | 114.1 Ų | 114.1 | 61% | 0.608 | 70% | 0.697 | S | S | * | * | trans | -91.7 | 126.7 | 169.6 | -63.5 | 0 | 0 | 0 | 0 | 110.5 | N145 C149 | N145-C147 VanDerWaalsContact C-N 3.31Å; N145-C147 PolarHBondContact O-N 2.77Å; N145-C147 VanDerWaalsContact O-N 3.11Å; C147-C149 VanDerWaalsContact C-N 3.3Å; C147-C149 PolarHBondContact O-N 3.39Å | ||
| 148 | P | 47.3 | Very low | 48.3 | Very low | 135 Ų | 135 | 111.3 Ų | 111.3 | 88% | 0.877 | 70% | 0.704 | S | S | * | * | trans | -81.9 | 79.6 | 173.3 | 32.5 | -29.6 | 0 | 0 | 0 | 109.5 | ||||
| 149 | C | 37 | Very low | 46.9 | Very low | 113 Ų | 113 | 113.4 Ų | 113.4 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | trans | -99.1 | 92 | 170.7 | -50.2 | 0 | 0 | 0 | 0 | 108.8 | C147 | C147-C149 VanDerWaalsContact C-N 3.3Å; C147-C149 PolarHBondContact O-N 3.39Å | ||
| 150 | G | 31 | Very low | 45.3 | Very low | 70 Ų | 70 | 116.8 Ų | 116.8 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | trans | -66.6 | 128.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 151 | S | 34.4 | Very low | 43.2 | Very low | 109 Ų | 109 | 113 Ų | 113 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | 47.6 | 120 | 148 | 72.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 152 | T | 31.7 | Very low | 42.1 | Very low | 136 Ų | 136 | 112.4 Ų | 112.4 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | 137.9 | 114.8 | 113.2 | -47.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 153 | G | 27.9 | Very low | 40.3 | Very low | 76 Ų | 76 | 117.8 Ų | 117.8 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | 84 | 116.3 | 138 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 154 | L | 33.6 | Very low | 38.8 | Very low | 171 Ų | 171 | 122.1 Ų | 122.1 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | trans | -92 | 170.6 | 151.7 | -91.5 | 155.8 | 0 | 0 | 0 | 109.2 | ||||
| 155 | P | 48 | Very low | 38 | Very low | 109 Ų | 109 | 123 Ų | 123 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | cis | -150.7 | -176.1 | 28.2 | 37.7 | -13 | 0 | 0 | 0 | 119.2 | ||||
| 156 | S | 30.3 | Very low | 37.2 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 99.1 | 127.4 | 145.8 | -57.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 157 | G | 26.4 | Very low | 36.7 | Very low | 76 Ų | 76 | 128.8 Ų | 128.8 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -90.4 | -150 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 158 | P | 44.7 | Very low | 37.3 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | cis | -138.9 | 169.4 | -5.5 | 42.4 | -23.2 | 0 | 0 | 0 | 118 | ||||
| 159 | S | 37.8 | Very low | 37.1 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 41 | 124.3 | 139.3 | 175.1 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 160 | E | 30.7 | Very low | 37.4 | Very low | 198 Ų | 198 | 129.4 Ų | 129.4 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -165.1 | 136.2 | 136.2 | -113.4 | 177.4 | 159.7 | 0 | 0 | 113.2 | ||||
| 161 | G | 28.9 | Very low | 37.4 | Very low | 73 Ų | 73 | 129.9 Ų | 129.9 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -97 | -149.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 162 | P | 45.6 | Very low | 37.4 | Very low | 113 Ų | 113 | 128 Ų | 128 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | cis | -144.4 | 173.2 | -11.6 | 44.4 | -24.8 | 0 | 0 | 0 | 117.4 | ||||
| 163 | R | 35.9 | Very low | 37.7 | Very low | 231 Ų | 231 | 126.9 Ų | 126.9 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | 78.2 | 123.4 | 153.4 | -44.9 | -174.2 | 179.1 | 164.5 | -1.8 | 122.4 | ||||
| 164 | V | 33 | Very low | 38.5 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | 169.4 | 119.9 | 95.8 | 167.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 165 | D | 38.8 | Very low | 38.6 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | -5.4 | 132.8 | 159.7 | -45.9 | -39.9 | 0 | 0 | 0 | 122.1 | ||||
| 166 | K | 36.1 | Very low | 38.3 | Very low | 209 Ų | 209 | 130 Ų | 130 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | -161.5 | 104.6 | 125.2 | -69.9 | -153.7 | 179.7 | 174.2 | 0 | 112.4 | |||||
| 167 | N | 44.7 | Very low | 38.9 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | 35 | 153.7 | 149.2 | -75.5 | -17.5 | 0 | 0 | 0 | 124.8 | ||||
| 168 | P | 59.3 | Low | 39.8 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | trans | -99.5 | 172.5 | -153.9 | 40.2 | -33.8 | 0 | 0 | 0 | 115 | ||||
| 169 | P | 44.1 | Very low | 40 | Very low | 115 Ų | 115 | 131 Ų | 131 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | -148.4 | 139.2 | 116.6 | 34.5 | -16.2 | 0 | 0 | 0 | 116.7 | |||||
| 170 | S | 42.4 | Very low | 40.6 | Very low | 125 Ų | 125 | 133 Ų | 133 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | 29.6 | 117.8 | 131.3 | -47.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 171 | G | 31.6 | Very low | 41.6 | Very low | 80 Ų | 80 | 128.8 Ų | 128.8 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | 133.8 | 113.4 | 133 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 172 | G | 34 | Very low | 42.7 | Very low | 71 Ų | 71 | 135.6 Ų | 135.6 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 81.8 | 155.1 | 154.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 173 | P | 38.9 | Very low | 43 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -74.2 | 136.3 | -141.1 | 29.6 | -34.9 | 0 | 0 | 0 | 114.2 | F175 | P173-F175 PolarHBondContact O-N 2.97Š| ||
| 174 | C | 42.8 | Very low | 44.1 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 86% | 0.858 | 75% | 0.753 | S | S | * | * | trans | -58.6 | 115.3 | 171.6 | -64.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 175 | F | 36.2 | Very low | 45.2 | Very low | 180 Ų | 180 | 131.4 Ų | 131.4 | 79% | 0.789 | 74% | 0.743 | S | S | * | * | trans | -88.4 | 132.8 | 150.8 | -64.9 | -79.5 | 0 | 0 | 0 | 107.4 | P173 N177 | P173-F175 PolarHBondContact O-N 2.97Å; F175-N177 PolarHBondContact O-N 3.42Å | ||
| 176 | P | 41.7 | Very low | 45.9 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | -61.1 | 131.4 | -176.7 | 24.6 | -32.8 | 0 | 0 | 0 | 110.4 | T178 | P176-T178 PolarHBondContact O-N 2.94Å; P176-T178 VanDerWaalsContact O-N 3.14Å | ||
| 177 | N | 43.7 | Very low | 46.9 | Very low | 146 Ų | 146 | 125 Ų | 125 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | trans | -44.1 | 115.3 | 179.1 | -58.9 | -45.3 | 0 | 0 | 0 | 111.4 | F175 | F175-N177 PolarHBondContact O-N 3.42Š| ||
| 178 | T | 44.9 | Very low | 47.4 | Very low | 86 Ų | 86 | 126.7 Ų | 126.7 | 53% | 0.528 | 72% | 0.718 | S | S | . | * | trans | -86.3 | 146.4 | 165.3 | 58.4 | 0 | 0 | 0 | 0 | 108.2 | P176 F180 | P176-T178 PolarHBondContact O-N 2.94Å; P176-T178 VanDerWaalsContact O-N 3.14Å; T178-F180 PolarHBondContact O-N 3.03Å | ||
| 179 | P | 49.9 | Very low | 47.1 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 21.1 | -174.7 | 28.5 | -33.8 | 0 | 0 | 0 | 114.7 | ||
| 180 | F | 48.8 | Very low | 47.7 | Very low | 156 Ų | 156 | 125.4 Ų | 125.4 | 68% | 0.684 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | 19.3 | -173.7 | -65.8 | -75.8 | 0 | 0 | 0 | 114.1 | T178 Y182 W183 | T178-F180 PolarHBondContact O-N 3.03Å; F180-Y182 PolarHBondContact O-N 3.31Å; F180-W183 PolarHBondContact O-N 2.98Å |
| 181 | D | 51.5 | Low | 48.2 | Very low | 110 Ų | 110 | 125.1 Ų | 125.1 | 59% | 0.588 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -5.3 | -177.8 | -70.8 | -30 | 0 | 0 | 0 | 115.4 | ||
| 182 | Y | 53 | Low | 49.4 | Very low | 216 Ų | 216 | 124.9 Ų | 124.9 | 85% | 0.847 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -6.3 | -178.8 | -46.8 | -77 | 0 | 0 | 0 | 114.2 | F180 | F180-Y182 PolarHBondContact O-N 3.31Š|
| 183 | W | 52.4 | Low | 50.4 | Low | 209 Ų | 209 | 129.2 Ų | 129.2 | 79% | 0.792 | 66% | 0.661 | S | S | * | * | trans | -120.3 | 81.4 | 177.6 | -165.9 | -75.8 | 0 | 0 | 0 | 110.2 | F180 P185 | F180-W183 PolarHBondContact O-N 2.98Å; W183-P185 WeakPolarHBondContact O-CD 3.22Å | ||
| 184 | T | 58.6 | Low | 51.1 | Low | 89 Ų | 89 | 131 Ų | 131 | 55% | 0.546 | 65% | 0.653 | S | S | . | * | trans | -83.1 | 104.9 | 157.7 | 16.8 | 0 | 0 | 0 | 0 | 108.3 | F186 S187 | T184-F186 PolarHBondContact O-N 3.1Å; T184-S187 PolarHBondContact O-N 3Å | ||
| 185 | P | 56 | Low | 51.5 | Low | 85 Ų | 85 | 127.6 Ų | 127.6 | 55% | 0.552 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -9.5 | -177.9 | 24.9 | -29.7 | 0 | 0 | 0 | 112.8 | W183 | W183-P185 WeakPolarHBondContact O-CD 3.22Š|
| 186 | F | 52.7 | Low | 52.2 | Low | 147 Ų | 147 | 129.1 Ų | 129.1 | 65% | 0.645 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | 31.7 | -178.5 | -53.8 | -68.7 | 0 | 0 | 0 | 113.5 | T184 K188 F189 | T184-F186 PolarHBondContact O-N 3.1Å; F186-K188 PolarHBondContact O-N 3.13Å; F186-K188 VanDerWaalsContact O-N 3.14Å; F186-F189 HydrophobicContact CB-CB 4.05Å; F186-F189 WeakPolarHBondContact O-CB 3.48Å; F186-F189 PolarHBondContact O-N 3.13Å |
| 187 | S | 56.7 | Low | 52.7 | Low | 73 Ų | 73 | 130.8 Ų | 130.8 | 51% | 0.51 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.8 | -31.7 | 178.6 | -167.8 | 0 | 0 | 0 | 0 | 113 | T184 F189 | T184-S187 PolarHBondContact O-N 3Å; S187-F189 VanDerWaalsContact C-N 3.26Å; S187-F189 PolarHBondContact O-N 3.15Å |
| 188 | K | 56 | Low | 53.2 | Low | 198 Ų | 198 | 132.4 Ų | 132.4 | 86% | 0.861 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -15.8 | 176 | -65.6 | -176.5 | 178.6 | -179.4 | 0 | 114.1 | F186 | F186-K188 PolarHBondContact O-N 3.13Å; F186-K188 VanDerWaalsContact O-N 3.14Å |
| 189 | F | 53.4 | Low | 53.3 | Low | 127 Ų | 127 | 138.3 Ų | 138.3 | 56% | 0.557 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -23.9 | -177.2 | -143.2 | -101.5 | 0 | 0 | 0 | 112.1 | F186 S187 D191 S192 W193 | F186-F189 HydrophobicContact CB-CB 4.05Å; F186-F189 WeakPolarHBondContact O-CB 3.48Å; F186-F189 PolarHBondContact O-N 3.13Å; S187-F189 VanDerWaalsContact C-N 3.26Å; S187-F189 PolarHBondContact O-N 3.15Å; F189-D191 VanDerWaalsContact C-N 3.35Å; F189-D191 PolarHBondContact O-N 2.82Å; F189-S192 PolarHBondContact O-OG 3.48Å; F189-W193 AromaticContact CD1-NE1 3.42Å; F189-W193 HydrophobicContact CE1-CZ2 4.4Å; F189-W193 AromaticContact CE1-NE1 3.3Å; F189-W193 VanDerWaalsContact CE1-NE1 3.3Å |
| 190 | N | 56 | Low | 53.4 | Low | 72 Ų | 72 | 136.8 Ų | 136.8 | 39% | 0.385 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -73.4 | -20.7 | -176.1 | -95.1 | -49 | 0 | 0 | 0 | 114.5 | ||
| 191 | D | 54.5 | Low | 53.4 | Low | 118 Ų | 118 | 137.6 Ų | 137.6 | 63% | 0.631 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -80.4 | -29.8 | -179.8 | -79 | -17.4 | 0 | 0 | 0 | 113.1 | F189 W193 G195 | F189-D191 VanDerWaalsContact C-N 3.35Å; F189-D191 PolarHBondContact O-N 2.82Å; D191-W193 VanDerWaalsContact C-N 3.32Å; D191-W193 PolarHBondContact O-N 2.78Å; D191-G195 PolarHBondContact O-N 2.66Å |
| 192 | S | 55.9 | Low | 53.3 | Low | 76 Ų | 76 | 141.9 Ų | 141.9 | 53% | 0.531 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -66.3 | -34.8 | 179.6 | -22.9 | 0 | 0 | 0 | 0 | 112.3 | F189 | F189-S192 PolarHBondContact O-OG 3.48Å |
| 193 | W | 54.8 | Low | 53.3 | Low | 161 Ų | 161 | 140.9 Ų | 140.9 | 61% | 0.61 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -81 | -36.7 | -178.8 | -65.9 | 98.3 | 0 | 0 | 0 | 112.3 | F189 D191 | F189-W193 AromaticContact CD1-NE1 3.42Å; F189-W193 HydrophobicContact CE1-CZ2 4.4Å; F189-W193 AromaticContact CE1-NE1 3.3Å; F189-W193 VanDerWaalsContact CE1-NE1 3.3Å; D191-W193 VanDerWaalsContact C-N 3.32Å; D191-W193 PolarHBondContact O-N 2.78Å |
| 194 | R | 53.1 | Low | 53.7 | Low | 150 Ų | 150 | 139 Ų | 139 | 57% | 0.566 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -74.8 | -34.6 | 178.4 | -74.3 | -167.5 | -79.7 | -95.3 | 11.7 | 113 | R196 L197 | R194-R196 VanDerWaalsContact C-N 3.33Å; R194-R196 PolarHBondContact O-N 2.76Å; R194-L197 PolarHBondContact O-N 2.78Å |
| 195 | G | 51.3 | Low | 54.3 | Low | 55 Ų | 55 | 140.2 Ų | 140.2 | 57% | 0.567 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -68.8 | -25.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D191 | D191-G195 PolarHBondContact O-N 2.66Å |
| 196 | R | 51.1 | Low | 54.7 | Low | 212 Ų | 212 | 146.5 Ų | 146.5 | 80% | 0.8 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -80.1 | -25 | 178.9 | -174.2 | 177.8 | -107 | -113.4 | 3.4 | 113.2 | R194 | R194-R196 VanDerWaalsContact C-N 3.33Å; R194-R196 PolarHBondContact O-N 2.76Å |
| 197 | L | 53.2 | Low | 55.4 | Low | 149 Ų | 149 | 143.2 Ų | 143.2 | 78% | 0.78 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -12.8 | -176.6 | -84 | 162.3 | 0 | 0 | 0 | 114.6 | R194 | R194-L197 PolarHBondContact O-N 2.78Š|
| 198 | Q | 53.8 | Low | 56.1 | Low | 180 Ų | 180 | 145.4 Ų | 145.4 | 84% | 0.841 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 5.1 | -175.6 | -67.2 | -144.6 | 43.3 | 0 | 0 | 115.4 | ||
| 199 | R | 46.3 | Very low | 56.9 | Low | 209 Ų | 209 | 146.6 Ų | 146.6 | 79% | 0.789 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -93.9 | 105.6 | 169.6 | -158.9 | 179.4 | -64.3 | -134.9 | 1.5 | 108.5 | Q201 | R199-Q201 WeakPolarHBondContact O-CG 3.46Å; R199-Q201 PolarHBondContact O-N 2.78Å |
| 200 | G | 52.6 | Low | 58.1 | Low | 81 Ų | 81 | 143.3 Ų | 143.3 | 84% | 0.835 | 71% | 0.706 | S | S | * | * | trans | -43 | 93.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 201 | Q | 49.5 | Very low | 58.7 | Low | 173 Ų | 173 | 146.3 Ų | 146.3 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | trans | -117.1 | 112 | 172.4 | -71.3 | -100.7 | -71.9 | 0 | 0 | 105.8 | R199 Q203 | R199-Q201 WeakPolarHBondContact O-CG 3.46Å; R199-Q201 PolarHBondContact O-N 2.78Å; Q201-Q203 PolarHBondContact O-N 3.29Å | ||
| 202 | K | 49.1 | Very low | 59.5 | Low | 200 Ų | 200 | 145.7 Ų | 145.7 | 87% | 0.87 | 72% | 0.719 | S | S | * | * | trans | -26.9 | 122.1 | 158.9 | -154 | 177.7 | -174.5 | -173.1 | 0 | 108.4 | E204 | K202-E204 PolarHBondContact O-N 3.47Š| ||
| 203 | Q | 52.4 | Low | 60.3 | Low | 194 Ų | 194 | 146 Ų | 146 | 91% | 0.907 | 72% | 0.721 | S | S | * | * | trans | -61.4 | 91.2 | 175.7 | -66.5 | -166.9 | 45.5 | 0 | 0 | 107.8 | Q201 | Q201-Q203 PolarHBondContact O-N 3.29Š| ||
| 204 | E | 61.7 | Low | 60.7 | Low | 169 Ų | 169 | 144.7 Ų | 144.7 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | -65.2 | 131.2 | 157.2 | -86.1 | -161.2 | 151.9 | 0 | 0 | 106.3 | K202 K206 | K202-E204 PolarHBondContact O-N 3.47Å; E204-K206 PolarHBondContact O-N 3.25Å | ||
| 205 | P | 69.9 | Low | 61.2 | Low | 115 Ų | 115 | 142.1 Ų | 142.1 | 75% | 0.747 | 72% | 0.722 | S | S | * | * | trans | -55.8 | 129.3 | 172.5 | 24.7 | -31.2 | 0 | 0 | 0 | 107.3 | A207 | P205-A207 PolarHBondContact O-N 3.42Š| ||
| 206 | K | 65.3 | Low | 61.7 | Low | 217 Ų | 217 | 144.1 Ų | 144.1 | 94% | 0.943 | 73% | 0.727 | S | S | * | * | trans | -63.6 | 83.5 | 169.8 | -75.6 | 167.4 | 174.2 | 175.7 | 0 | 107.3 | E204 | E204-K206 PolarHBondContact O-N 3.25Š| ||
| 207 | A | 66.2 | Low | 62.2 | Low | 78 Ų | 78 | 141 Ų | 141 | 65% | 0.645 | 72% | 0.72 | S | S | * | * | trans | -74.8 | 124.6 | 170 | 0 | 0 | 0 | 0 | 0 | 106.8 | P205 R209 | P205-A207 PolarHBondContact O-N 3.42Å; A207-R209 PolarHBondContact O-N 3.46Å | ||
| 208 | D | 71.7 | Confident | 62.7 | Low | 120 Ų | 120 | 136.2 Ų | 136.2 | 64% | 0.642 | 71% | 0.707 | S | S | * | * | trans | -57.1 | 127.1 | 165.1 | -148.1 | -16.6 | 0 | 0 | 0 | 107 | D210 | D208-D210 WeakPolarHBondContact CB-OD1 3.27Å; D208-D210 VanDerWaalsContact CG-OD1 3.28Å | ||
| 209 | R | 73.5 | Confident | 63.1 | Low | 222 Ų | 222 | 129.4 Ų | 129.4 | 84% | 0.838 | 68% | 0.684 | S | S | * | * | trans | -120.4 | 31.5 | -174.8 | -149 | -179.6 | -178.2 | 149.3 | 1.3 | 109.1 | A207 | A207-R209 PolarHBondContact O-N 3.46Š| ||
| 210 | D | 79 | Confident | 64 | Low | 58 Ų | 58 | 123 Ų | 123 | 31% | 0.31 | 67% | 0.666 | S | S | . | * | trans | -62.4 | 163.2 | 164.6 | 47.7 | -5.1 | 0 | 0 | 0 | 111.3 | D208 D212 S213 | D208-D210 WeakPolarHBondContact CB-OD1 3.27Å; D208-D210 VanDerWaalsContact CG-OD1 3.28Å; D210-D212 VanDerWaalsContact C-N 3.28Å; D210-D212 WeakPolarHBondContact CB-OD1 3.35Å; D210-D212 PolarHBondContact O-N 3.02Å; D210-S213 WeakPolarHBondContact O-CB 3.43Å; D210-S213 PolarHBondContact O-N 3.39Å; D210-S213 PolarHBondContact OD1-OG 3.22Å | ||
| 211 | L | 68.6 | Low | 64.6 | Low | 135 Ų | 135 | 123.5 Ų | 123.5 | 71% | 0.707 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -75 | -19.5 | -166.2 | -68.7 | 170.2 | 0 | 0 | 0 | 113.1 | S213 Q214 | L211-S213 VanDerWaalsContact C-N 3.34Å; L211-Q214 PolarHBondContact O-N 3.29Å |
| 212 | D | 70.5 | Confident | 65.4 | Low | 106 Ų | 106 | 123.2 Ų | 123.2 | 57% | 0.567 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -68.5 | -32 | 173.6 | 59.2 | -13.7 | 0 | 0 | 0 | 112.1 | D210 Q214 V215 | D210-D212 VanDerWaalsContact C-N 3.28Å; D210-D212 WeakPolarHBondContact CB-OD1 3.35Å; D210-D212 PolarHBondContact O-N 3.02Å; D212-Q214 PolarHBondContact O-N 3.22Å; D212-V215 PolarHBondContact O-N 3.03Å |
| 213 | S | 72.1 | Confident | 66.2 | Low | 82 Ų | 82 | 120.1 Ų | 120.1 | 57% | 0.573 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -66.9 | -17.1 | 173.1 | -65.4 | 0 | 0 | 0 | 0 | 113.7 | D210 L211 | D210-S213 WeakPolarHBondContact O-CB 3.43Å; D210-S213 PolarHBondContact O-N 3.39Å; D210-S213 PolarHBondContact OD1-OG 3.22Å; L211-S213 VanDerWaalsContact C-N 3.34Å |
| 214 | Q | 64.4 | Low | 66.9 | Low | 134 Ų | 134 | 117.1 Ų | 117.1 | 63% | 0.626 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -92 | -8.5 | 177.5 | -61.7 | -177.2 | 21.8 | 0 | 0 | 113.3 | L211 D212 S216 | L211-Q214 PolarHBondContact O-N 3.29Å; D212-Q214 PolarHBondContact O-N 3.22Å; Q214-S216 PolarHBondContact O-N 2.97Å |
| 215 | V | 63.3 | Low | 67.1 | Low | 96 Ų | 96 | 111.8 Ų | 111.8 | 58% | 0.582 | 61% | 0.613 | S | S | * | * | trans | -85.3 | 92.1 | 174.5 | -173.3 | 0 | 0 | 0 | 0 | 108.1 | D212 F217 | D212-V215 PolarHBondContact O-N 3.03Å; V215-F217 PolarHBondContact O-N 3.23Å | ||
| 216 | S | 62.1 | Low | 66.8 | Low | 97 Ų | 97 | 109.6 Ų | 109.6 | 68% | 0.678 | 60% | 0.599 | S | S | * | * | trans | -63.9 | 124.1 | 167.8 | -178.1 | 0 | 0 | 0 | 0 | 109 | Q214 G218 G219 | Q214-S216 PolarHBondContact O-N 2.97Å; S216-G218 PolarHBondContact O-N 2.99Å; S216-G219 PolarHBondContact O-N 2.96Å; S216-G219 VanDerWaalsContact O-N 3.16Å | ||
| 217 | F | 60.5 | Low | 66.9 | Low | 146 Ų | 146 | 102.4 Ų | 102.4 | 64% | 0.64 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -48.4 | -25 | 179.4 | -176.4 | -94.9 | 0 | 0 | 0 | 113.6 | V215 G219 L220 | V215-F217 PolarHBondContact O-N 3.23Å; F217-G219 PolarHBondContact O-N 3.34Å; F217-G219 VanDerWaalsContact O-N 3.14Å; F217-L220 PolarHBondContact O-N 3.48Å |
| 218 | G | 64 | Low | 66.8 | Low | 49 Ų | 49 | 104.1 Ų | 104.1 | 51% | 0.505 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -64.8 | -13.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | S216 | S216-G218 PolarHBondContact O-N 2.99Š|
| 219 | G | 61.8 | Low | 66.1 | Low | 36 Ų | 36 | 109 Ų | 109 | 37% | 0.371 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -84.9 | -26.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S216 F217 Q222 I223 | S216-G219 PolarHBondContact O-N 2.96Å; S216-G219 VanDerWaalsContact O-N 3.16Å; F217-G219 PolarHBondContact O-N 3.34Å; F217-G219 VanDerWaalsContact O-N 3.14Å; G219-Q222 PolarHBondContact O-N 2.62Å; G219-I223 WeakPolarHBondContact O-CG1 3.36Å; G219-I223 PolarHBondContact O-N 2.9Å |
| 220 | L | 66.8 | Low | 65.3 | Low | 76 Ų | 76 | 100.2 Ų | 100.2 | 40% | 0.398 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.5 | -37.2 | -179.7 | -75.3 | 172.3 | 0 | 0 | 0 | 111.4 | F217 Q222 I223 L224 | F217-L220 PolarHBondContact O-N 3.48Å; L220-Q222 PolarHBondContact O-N 3.13Å; L220-I223 CarbonylContact O-C 3.59Å; L220-I223 PolarHBondContact O-N 2.82Å; L220-L224 HydrophobicContact CB-CD1 4.46Å; L220-L224 WeakPolarHBondContact O-CB 3.46Å; L220-L224 VanDerWaalsContact O-CG 3.3Å; L220-L224 WeakPolarHBondContact O-CG 3.32Å; L220-L224 PolarHBondContact O-N 3.21Å |
| 221 | D | 63.7 | Low | 64.3 | Low | 90 Ų | 90 | 103.1 Ų | 103.1 | 48% | 0.481 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -59.8 | -31.5 | 176 | -67.9 | -24 | 0 | 0 | 0 | 112 | A225 | D221-A225 WeakPolarHBondContact O-CA 3.46Å; D221-A225 WeakPolarHBondContact O-CB 3.43Å; D221-A225 PolarHBondContact O-N 2.74Å |
| 222 | Q | 66.2 | Low | 64.2 | Low | 167 Ų | 167 | 102.1 Ų | 102.1 | 78% | 0.78 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -77.9 | -22.7 | 178.1 | -157.3 | 165.8 | 63.6 | 0 | 0 | 113 | G219 L220 | G219-Q222 PolarHBondContact O-N 2.62Å; L220-Q222 PolarHBondContact O-N 3.13Å |
| 223 | I | 66.3 | Low | 64.2 | Low | 136 Ų | 136 | 104.5 Ų | 104.5 | 70% | 0.697 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -89.1 | -35 | 175.9 | -62.4 | 166.3 | 0 | 0 | 0 | 110.7 | G219 L220 | G219-I223 WeakPolarHBondContact O-CG1 3.36Å; G219-I223 PolarHBondContact O-N 2.9Å; L220-I223 CarbonylContact O-C 3.59Å; L220-I223 PolarHBondContact O-N 2.82Å |
| 224 | L | 66.8 | Low | 64.1 | Low | 131 Ų | 131 | 105.9 Ų | 105.9 | 69% | 0.686 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -86 | -17.1 | 178.2 | -64.3 | 176.4 | 0 | 0 | 0 | 112.7 | L220 P226 | L220-L224 HydrophobicContact CB-CD1 4.46Å; L220-L224 WeakPolarHBondContact O-CB 3.46Å; L220-L224 VanDerWaalsContact O-CG 3.3Å; L220-L224 WeakPolarHBondContact O-CG 3.32Å; L220-L224 PolarHBondContact O-N 3.21Å; L224-P226 VanDerWaalsContact O-CD 3.28Å; L224-P226 WeakPolarHBondContact O-CD 3.32Å |
| 225 | A | 67 | Low | 64.5 | Low | 56 Ų | 56 | 107.5 Ų | 107.5 | 46% | 0.463 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -62 | 116.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | D221 | D221-A225 WeakPolarHBondContact O-CA 3.46Å; D221-A225 WeakPolarHBondContact O-CB 3.43Å; D221-A225 PolarHBondContact O-N 2.74Å |
| 226 | P | 64 | Low | 64.7 | Low | 69 Ų | 69 | 111.9 Ų | 111.9 | 45% | 0.448 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 138.7 | 173.9 | 25.2 | -31.1 | 0 | 0 | 0 | 108.3 | L224 | L224-P226 VanDerWaalsContact O-CD 3.28Å; L224-P226 WeakPolarHBondContact O-CD 3.32Å |
| 227 | P | 67 | Low | 65.2 | Low | 66 Ų | 66 | 114.8 Ų | 114.8 | 43% | 0.429 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 146.9 | -177.8 | 25.8 | -34.7 | 0 | 0 | 0 | 109.7 | W229 S230 | P227-W229 HydrophobicContact CG-CD2 4.47Å; P227-W229 HydrophobicContact CG-CZ2 3.98Å; P227-W229 PolarHBondContact O-N 2.78Å; P227-S230 WeakPolarHBondContact O-CA 2.93Å; P227-S230 WeakPolarHBondContact O-CB 3.35Å; P227-S230 PolarHBondContact O-N 3.14Å |
| 228 | A | 63.1 | Low | 65.6 | Low | 115 Ų | 115 | 110.5 Ų | 110.5 | 95% | 0.95 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -10.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 229 | W | 56.7 | Low | 66.3 | Low | 222 Ų | 222 | 116.8 Ų | 116.8 | 84% | 0.841 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -12.1 | 173.5 | 58.2 | -89.9 | 0 | 0 | 0 | 113.6 | P227 | P227-W229 HydrophobicContact CG-CD2 4.47Å; P227-W229 HydrophobicContact CG-CZ2 3.98Å; P227-W229 PolarHBondContact O-N 2.78Å |
| 230 | S | 57.3 | Low | 67.4 | Low | 37 Ų | 37 | 121 Ų | 121 | 26% | 0.259 | 63% | 0.634 | S | S | . | * | trans | -104.2 | 75.2 | 175.3 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | P227 T232 | P227-S230 WeakPolarHBondContact O-CA 2.93Å; P227-S230 WeakPolarHBondContact O-CB 3.35Å; P227-S230 PolarHBondContact O-N 3.14Å; S230-T232 PolarHBondContact O-N 3.03Å | ||
| 231 | S | 59.4 | Low | 68.5 | Low | 120 Ų | 120 | 123.8 Ų | 123.8 | 84% | 0.839 | 65% | 0.645 | S | S | * | * | trans | -66.2 | 3.7 | 169.9 | -179.3 | 0 | 0 | 0 | 0 | 113 | Q233 | S231-Q233 PolarHBondContact O-N 3.35Š| ||
| 232 | T | 65.6 | Low | 69.8 | Low | 113 Ų | 113 | 121.5 Ų | 121.5 | 69% | 0.693 | 64% | 0.636 | S | S | * | * | trans | -101.6 | 84.2 | -174.1 | -48.4 | 0 | 0 | 0 | 0 | 108.6 | S230 | S230-T232 PolarHBondContact O-N 3.03Š| ||
| 233 | Q | 69.6 | Low | 71.2 | Confident | 157 Ų | 157 | 117 Ų | 117 | 73% | 0.734 | 62% | 0.62 | S | S | * | * | trans | -52.9 | 135.5 | 165.6 | -173.2 | 176.2 | -2.8 | 0 | 0 | 108.9 | S231 K235 | S231-Q233 PolarHBondContact O-N 3.35Å; Q233-K235 PolarHBondContact O-N 3.24Å | ||
| 234 | P | 70.9 | Confident | 72.5 | Confident | 111 Ų | 111 | 114.2 Ų | 114.2 | 72% | 0.721 | 61% | 0.609 | S | S | * | * | trans | -59.4 | 111.1 | 177.5 | 22.7 | -32 | 0 | 0 | 0 | 109.1 | M236 | P234-M236 PolarHBondContact O-N 2.96Š| ||
| 235 | K | 72.4 | Confident | 73.9 | Confident | 168 Ų | 168 | 111.8 Ų | 111.8 | 73% | 0.73 | 60% | 0.6 | S | S | * | * | trans | -78.3 | 104.9 | 178.1 | -170.7 | 169.7 | -176.3 | 172.6 | 0 | 107.8 | Q233 R237 | Q233-K235 PolarHBondContact O-N 3.24Å; K235-R237 HydrophobicContact CG-CG 4.18Å; K235-R237 PolarHBondContact O-N 3.44Å; K235-R237 VanDerWaalsContact O-N 3.11Å | ||
| 236 | M | 67.1 | Low | 75.3 | Confident | 187 Ų | 187 | 112.2 Ų | 112.2 | 92% | 0.921 | 60% | 0.597 | S | S | * | * | trans | -60.7 | 115.4 | 167.5 | -63.6 | -179.8 | 72.7 | 0 | 0 | 107.6 | P234 | P234-M236 PolarHBondContact O-N 2.96Š| ||
| 237 | R | 72.5 | Confident | 76.8 | Confident | 159 Ų | 159 | 115.1 Ų | 115.1 | 60% | 0.6 | 60% | 0.602 | S | S | * | * | trans | -110.5 | 118.7 | 175.1 | -67 | -177.5 | 179.4 | -155.7 | 2.4 | 107.4 | K235 Y239 | K235-R237 HydrophobicContact CG-CG 4.18Å; K235-R237 PolarHBondContact O-N 3.44Å; K235-R237 VanDerWaalsContact O-N 3.11Å; R237-Y239 HydrophobicContact CB-CD2 4.29Å; R237-Y239 HydrophobicContact CB-CE1 4.26Å; R237-Y239 HydrophobicContact CB-CE2 3.58Å; R237-Y239 WeakPolarHBondContact CD-OH 2.74Å | ||
| 238 | S | 70.4 | Confident | 78.1 | Confident | 55 Ų | 55 | 114.9 Ų | 114.9 | 39% | 0.385 | 60% | 0.599 | S | S | . | * | trans | -85.3 | 119 | 171.8 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | F240 G264 | S238-F240 WeakPolarHBondContact OG-CD1 3.34Å; S238-F240 WeakPolarHBondContact OG-CE1 3.38Å; S238-G264 WeakPolarHBondContact OG-CA 3.45Å | ||
| 239 | Y | 78.6 | Confident | 79.7 | Confident | 181 Ų | 181 | 114.2 Ų | 114.2 | 71% | 0.71 | 58% | 0.583 | S | S | * | * | trans | -112.9 | 13.7 | 174.8 | -56.4 | -76.4 | 0 | 0 | 0 | 111.6 | R237 | R237-Y239 HydrophobicContact CB-CD2 4.29Å; R237-Y239 HydrophobicContact CB-CE1 4.26Å; R237-Y239 HydrophobicContact CB-CE2 3.58Å; R237-Y239 WeakPolarHBondContact CD-OH 2.74Å | ||
| 240 | F | 85 | Confident | 81.4 | Confident | 125 Ų | 125 | 106.9 Ų | 106.9 | 55% | 0.548 | 56% | 0.557 | S | S | . | * | trans | -69.8 | 140.2 | 179.9 | 73.3 | -106.7 | 0 | 0 | 0 | 109.9 | S238 D263 G264 | S238-F240 WeakPolarHBondContact OG-CD1 3.34Å; S238-F240 WeakPolarHBondContact OG-CE1 3.38Å; F240-D263 WeakPolarHBondContact CE2-O 3.24Å; F240-D263 CarbonylContact O-C 3.48Å; F240-G264 VanDerWaalsContact CE2-CA 3.44Å; F240-G264 WeakPolarHBondContact O-CA 3.2Å; F240-G264 PolarHBondContact O-N 3.11Å | ||
| 241 | Q | 89.8 | Confident | 83.2 | Confident | 134 Ų | 134 | 112 Ų | 112 | 63% | 0.626 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -136 | 121.9 | 169.9 | -172 | 175.3 | 33.7 | 0 | 0 | 106 | V261 Q262 | Q241-V261 HydrophobicContact CG-CG1 3.63Å; Q241-Q262 CarbonylContact C-O 3.45Å; Q241-Q262 WeakPolarHBondContact CA-O 3.01Å |
| 242 | S | 91.3 | Very high | 84.6 | Confident | 43 Ų | 43 | 111.9 Ų | 111.9 | 30% | 0.301 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.7 | 140.5 | 174.4 | 67.2 | 0 | 0 | 0 | 0 | 109.2 | V261 Q262 | S242-V261 CarbonylContact O-C 3.55Å; S242-V261 WeakPolarHBondContact O-CA 3.31Å; S242-Q262 PolarHBondContact N-O 2.74Å; S242-Q262 PolarHBondContact O-N 3.33Å; S242-Q262 WeakPolarHBondContact OG-CB 3.32Å; S242-Q262 PolarHBondContact OG-O 3.12Å |
| 243 | V | 95.1 | Very high | 85.7 | Confident | 73 Ų | 73 | 109.1 Ų | 109.1 | 44% | 0.442 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.3 | 119.1 | 179.3 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | V245 R259 T260 V261 | V243-V245 HydrophobicContact CG1-CG2 4.21Å; V243-R259 HydrophobicContact CG1-CG 4.15Å; V243-T260 CarbonylContact C-O 3.55Å; V243-T260 WeakPolarHBondContact CA-O 3.25Å; V243-V261 HydrophobicContact CG1-CG2 4.39Å; V243-V261 HydrophobicContact CG2-CG2 4.34Å |
| 244 | T | 94.1 | Very high | 86.7 | Confident | 77 Ų | 77 | 102.2 Ų | 102.2 | 47% | 0.472 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.4 | 175.7 | -58.4 | 0 | 0 | 0 | 0 | 108.8 | R259 T260 | T244-R259 CarbonylContact O-C 3.57Å; T244-R259 WeakPolarHBondContact O-CA 3.43Å; T244-T260 PolarHBondContact N-O 3.36Å; T244-T260 PolarHBondContact O-N 3.35Å |
| 245 | V | 95.8 | Very high | 87.8 | Confident | 80 Ų | 80 | 97.9 Ų | 97.9 | 49% | 0.485 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120 | 175.7 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | V243 E257 R258 R259 | V243-V245 HydrophobicContact CG1-CG2 4.21Å; V245-E257 HydrophobicContact CG1-CG 3.69Å; V245-R258 CarbonylContact C-O 3.55Å; V245-R258 WeakPolarHBondContact CA-O 3.41Å; V245-R259 HydrophobicContact CG2-CG 4.32Å |
| 246 | T | 95.4 | Very high | 88.9 | Confident | 64 Ų | 64 | 91 Ų | 91 | 39% | 0.393 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 115 | 176.6 | -52 | 0 | 0 | 0 | 0 | 109.2 | V248 E257 R258 | T246-V248 HydrophobicContact CG2-CG2 4.25Å; T246-E257 CarbonylContact O-C 3.55Å; T246-E257 WeakPolarHBondContact O-CA 3.49Å; T246-R258 PolarHBondContact N-O 3.43Å; T246-R258 PolarHBondContact O-N 3.29Å |
| 247 | K | 95.3 | Very high | 90.2 | Very high | 131 Ų | 131 | 84.7 Ų | 84.7 | 57% | 0.57 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 116.6 | 178.9 | -166.6 | 178.1 | -170.7 | 177.2 | 0 | 109.6 | V255 E256 | K247-V255 HydrophobicContact CD-CG1 3.99Å; K247-V255 HydrophobicContact CG-CG1 3.49Å; K247-V255 VanDerWaalsContact CG-CG1 3.49Å; K247-E256 CarbonylContact C-O 3.59Å; K247-E256 WeakPolarHBondContact CA-O 3.27Å |
| 248 | V | 95.9 | Very high | 91.3 | Very high | 60 Ų | 60 | 82.3 Ų | 82.3 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.3 | 178.5 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | T246 V255 E256 | T246-V248 HydrophobicContact CG2-CG2 4.25Å; V248-V255 CarbonylContact O-C 3.53Å; V248-V255 WeakPolarHBondContact O-CA 3.35Å; V248-E256 HydrophobicContact CB-CB 4.38Å; V248-E256 PolarHBondContact N-O 3.03Å; V248-E256 PolarHBondContact O-N 3.46Å |
| 249 | V | 95.2 | Very high | 92.4 | Very high | 102 Ų | 102 | 85.4 Ų | 85.4 | 62% | 0.618 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.4 | 171.4 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | V255 | V249-V255 HydrophobicContact CG2-CG2 4.24Å |
| 250 | K | 93.8 | Very high | 93.3 | Very high | 68 Ų | 68 | 77.9 Ų | 77.9 | 30% | 0.296 | 42% | 0.42 | S | S | . | . | trans | -85.8 | 158.4 | 177.3 | -74.6 | -169.1 | -161.1 | 160.9 | 0 | 111 | D252 G253 S254 E256 | K250-D252 WeakPolarHBondContact CB-OD1 3.39Å; K250-D252 PolarHBondContact O-N 3.12Å; K250-D252 VanDerWaalsContact O-N 3.13Å; K250-G253 PolarHBondContact O-N 3.43Å; K250-S254 WeakPolarHBondContact CD-OG 3.48Å; K250-S254 PolarHBondContact N-O 2.88Å; K250-E256 VanDerWaalsContact CE-CD 3.41Å; K250-E256 WeakPolarHBondContact CE-OE1 3.06Å; K250-E256 IonicContact NZ-OE1 3.77Å; K250-E256 PolarHBondContact NZ-OE1 3.35Å | ||
| 251 | P | 93.8 | Very high | 93.8 | Very high | 145 Ų | 145 | 72.5 Ų | 72.5 | 94% | 0.942 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.7 | 176.3 | 25.9 | -35.8 | 0 | 0 | 0 | 113.9 | G253 | P251-G253 PolarHBondContact O-N 3.01Š|
| 252 | D | 89.4 | Confident | 94 | Very high | 116 Ų | 116 | 70 Ų | 70 | 62% | 0.62 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 1.6 | 174.1 | 64.2 | 1 | 0 | 0 | 0 | 113.4 | K250 S254 | K250-D252 WeakPolarHBondContact CB-OD1 3.39Å; K250-D252 PolarHBondContact O-N 3.12Å; K250-D252 VanDerWaalsContact O-N 3.13Å; D252-S254 VanDerWaalsContact CG-OG 3.26Å; D252-S254 PolarHBondContact O-N 3.12Å; D252-S254 VanDerWaalsContact OD1-CB 3.27Å; D252-S254 WeakPolarHBondContact OD1-CB 3.21Å; D252-S254 PolarHBondContact OD1-N 3.17Å; D252-S254 PolarHBondContact OD1-OG 3.41Å; D252-S254 PolarHBondContact OD2-OG 3.12Å |
| 253 | G | 88.1 | Confident | 94.1 | Very high | 55 Ų | 55 | 69.9 Ų | 69.9 | 57% | 0.567 | 38% | 0.382 | S | S | * | . | S | Bend | trans | 78.4 | 1.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K250 P251 | K250-G253 PolarHBondContact O-N 3.43Å; P251-G253 PolarHBondContact O-N 3.01Å |
| 254 | S | 92 | Very high | 93.5 | Very high | 12 Ų | 12 | 67.3 Ų | 67.3 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | trans | -77.6 | 158.3 | 170.1 | 73.1 | 0 | 0 | 0 | 0 | 111.3 | K250 D252 I275 G276 | K250-S254 WeakPolarHBondContact CD-OG 3.48Å; K250-S254 PolarHBondContact N-O 2.88Å; D252-S254 VanDerWaalsContact CG-OG 3.26Å; D252-S254 PolarHBondContact O-N 3.12Å; D252-S254 VanDerWaalsContact OD1-CB 3.27Å; D252-S254 WeakPolarHBondContact OD1-CB 3.21Å; D252-S254 PolarHBondContact OD1-N 3.17Å; D252-S254 PolarHBondContact OD1-OG 3.41Å; D252-S254 PolarHBondContact OD2-OG 3.12Å; S254-I275 CarbonylContact C-O 3.52Å; S254-G276 WeakPolarHBondContact CB-O 3.48Å | ||
| 255 | V | 93.6 | Very high | 93.1 | Very high | 21 Ų | 21 | 71.3 Ų | 71.3 | 13% | 0.127 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 123.6 | -175.8 | 177.4 | 0 | 0 | 0 | 0 | 108.6 | K247 V248 V249 Y274 I275 | K247-V255 HydrophobicContact CD-CG1 3.99Å; K247-V255 HydrophobicContact CG-CG1 3.49Å; K247-V255 VanDerWaalsContact CG-CG1 3.49Å; V248-V255 CarbonylContact O-C 3.53Å; V248-V255 WeakPolarHBondContact O-CA 3.35Å; V249-V255 HydrophobicContact CG2-CG2 4.24Å; V255-Y274 CarbonylContact O-C 3.55Å; V255-Y274 WeakPolarHBondContact O-CA 3.35Å; V255-I275 WeakPolarHBondContact CA-O 2.94Å; V255-I275 HydrophobicContact CB-CB 4.19Å; V255-I275 WeakPolarHBondContact CB-O 3.27Å; V255-I275 PolarHBondContact N-O 3.13Å; V255-I275 PolarHBondContact O-N 2.91Å |
| 256 | E | 94.1 | Very high | 92.5 | Very high | 22 Ų | 22 | 70 Ų | 70 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.4 | 166.6 | -50 | -170.5 | 165.7 | 0 | 0 | 109 | K247 V248 K250 R258 Y274 | K247-E256 CarbonylContact C-O 3.59Å; K247-E256 WeakPolarHBondContact CA-O 3.27Å; V248-E256 HydrophobicContact CB-CB 4.38Å; V248-E256 PolarHBondContact N-O 3.03Å; V248-E256 PolarHBondContact O-N 3.46Å; K250-E256 VanDerWaalsContact CE-CD 3.41Å; K250-E256 WeakPolarHBondContact CE-OE1 3.06Å; K250-E256 IonicContact NZ-OE1 3.77Å; K250-E256 PolarHBondContact NZ-OE1 3.35Å; E256-R258 IonicContact OE2-CZ 3.77Å; E256-R258 IonicContact OE2-NE 3.8Å; E256-R258 IonicContact OE2-NH2 2.9Å; E256-R258 PolarHBondContact OE2-NH2 3.36Å; E256-Y274 HydrophobicContact CB-CD1 4.39Å; E256-Y274 HydrophobicContact CB-CE1 4.37Å; E256-Y274 HydrophobicContact CG-CD1 3.72Å; E256-Y274 HydrophobicContact CG-CE1 3.64Å; E256-Y274 WeakPolarHBondContact OE1-CE1 3.37Å |
| 257 | E | 95 | Very high | 92.1 | Very high | 56 Ų | 56 | 71.3 Ų | 71.3 | 26% | 0.262 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 119.5 | 170.7 | -172.3 | 176.1 | 136.4 | 0 | 0 | 109.5 | V245 T246 V272 T273 | V245-E257 HydrophobicContact CG1-CG 3.69Å; T246-E257 CarbonylContact O-C 3.55Å; T246-E257 WeakPolarHBondContact O-CA 3.49Å; E257-V272 CarbonylContact O-C 3.55Å; E257-V272 WeakPolarHBondContact O-CA 3.33Å; E257-T273 PolarHBondContact N-O 3.28Å; E257-T273 PolarHBondContact O-N 3.08Å |
| 258 | R | 95.1 | Very high | 92 | Very high | 109 Ų | 109 | 71.1 Ų | 71.1 | 41% | 0.411 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 112.2 | 175.7 | -52.9 | -176.3 | -178.4 | 167.5 | 2.8 | 108.5 | V245 T246 E256 T271 V272 | V245-R258 CarbonylContact C-O 3.55Å; V245-R258 WeakPolarHBondContact CA-O 3.41Å; T246-R258 PolarHBondContact N-O 3.43Å; T246-R258 PolarHBondContact O-N 3.29Å; E256-R258 IonicContact OE2-CZ 3.77Å; E256-R258 IonicContact OE2-NE 3.8Å; E256-R258 IonicContact OE2-NH2 2.9Å; E256-R258 PolarHBondContact OE2-NH2 3.36Å; R258-T271 CarbonylContact C-O 3.51Å; R258-T271 WeakPolarHBondContact CA-O 3.36Å; R258-V272 HydrophobicContact CB-CG2 4.43Å; R258-V272 HydrophobicContact CG-CG1 4.13Å; R258-V272 HydrophobicContact CG-CG2 4.02Å |
| 259 | R | 95.1 | Very high | 91.8 | Very high | 119 Ų | 119 | 74.4 Ų | 74.4 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 114.6 | 175.9 | -179.8 | 174.9 | -177.2 | -105.9 | 0.9 | 109.3 | V243 T244 V245 V261 T270 T271 | V243-R259 HydrophobicContact CG1-CG 4.15Å; T244-R259 CarbonylContact O-C 3.57Å; T244-R259 WeakPolarHBondContact O-CA 3.43Å; V245-R259 HydrophobicContact CG2-CG 4.32Å; R259-V261 HydrophobicContact CG-CG2 4.32Å; R259-T270 CarbonylContact O-C 3.56Å; R259-T270 WeakPolarHBondContact O-CA 3.34Å; R259-T271 PolarHBondContact N-O 3.06Å; R259-T271 PolarHBondContact O-N 3.34Å |
| 260 | T | 95.7 | Very high | 91.8 | Very high | 24 Ų | 24 | 73.3 Ų | 73.3 | 15% | 0.147 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125.8 | 178.3 | -51.4 | 0 | 0 | 0 | 0 | 109.2 | V243 T244 E268 E269 | V243-T260 CarbonylContact C-O 3.55Å; V243-T260 WeakPolarHBondContact CA-O 3.25Å; T244-T260 PolarHBondContact N-O 3.36Å; T244-T260 PolarHBondContact O-N 3.35Å; T260-E268 HydrophobicContact CG2-CG 3.49Å; T260-E268 VanDerWaalsContact CG2-CG 3.49Å; T260-E268 WeakPolarHBondContact CG2-OE1 3.22Å; T260-E269 CarbonylContact C-O 3.54Å; T260-E269 VanDerWaalsContact CA-O 3.32Å; T260-E269 WeakPolarHBondContact CA-O 3.31Å |
| 261 | V | 95.8 | Very high | 91.8 | Very high | 12 Ų | 12 | 72.8 Ų | 72.8 | 7% | 0.073 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 114.9 | -178.5 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | Q241 S242 V243 R259 E268 E269 | Q241-V261 HydrophobicContact CG-CG1 3.63Å; S242-V261 CarbonylContact O-C 3.55Å; S242-V261 WeakPolarHBondContact O-CA 3.31Å; V243-V261 HydrophobicContact CG1-CG2 4.39Å; V243-V261 HydrophobicContact CG2-CG2 4.34Å; R259-V261 HydrophobicContact CG-CG2 4.32Å; V261-E268 CarbonylContact O-C 3.53Å; V261-E268 WeakPolarHBondContact O-CA 3.28Å; V261-E269 PolarHBondContact N-O 3.38Å; V261-E269 PolarHBondContact O-N 3.06Å |
| 262 | Q | 95.2 | Very high | 91.8 | Very high | 82 Ų | 82 | 68.8 Ų | 68.8 | 38% | 0.383 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.5 | -179.1 | 177.1 | -175.2 | 37.2 | 0 | 0 | 110.8 | Q241 S242 N267 | Q241-Q262 CarbonylContact C-O 3.45Å; Q241-Q262 WeakPolarHBondContact CA-O 3.01Å; S242-Q262 PolarHBondContact N-O 2.74Å; S242-Q262 PolarHBondContact O-N 3.33Å; S242-Q262 WeakPolarHBondContact OG-CB 3.32Å; S242-Q262 PolarHBondContact OG-O 3.12Å; Q262-N267 CarbonylContact C-O 3.54Å; Q262-N267 VanDerWaalsContact CA-O 3.27Å; Q262-N267 WeakPolarHBondContact CA-O 3.46Å |
| 263 | D | 92 | Very high | 91.9 | Very high | 39 Ų | 39 | 66.5 Ų | 66.5 | 21% | 0.209 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 175.3 | -175.8 | 78.1 | 7.8 | 0 | 0 | 0 | 114.4 | F240 Q265 G266 N267 | F240-D263 WeakPolarHBondContact CE2-O 3.24Å; F240-D263 CarbonylContact O-C 3.48Å; D263-Q265 PolarHBondContact O-N 3.23Å; D263-Q265 VanDerWaalsContact O-N 3.12Å; D263-Q265 WeakPolarHBondContact OD1-CA 3.41Å; D263-Q265 WeakPolarHBondContact OD1-CB 3.35Å; D263-Q265 PolarHBondContact OD1-N 3.45Å; D263-G266 PolarHBondContact O-N 3.11Å; D263-G266 PolarHBondContact OD1-N 3.28Å; D263-N267 PolarHBondContact N-O 3.46Å; D263-N267 PolarHBondContact OD1-N 2.94Å; D263-N267 WeakPolarHBondContact OD2-CB 3.32Å; D263-N267 PolarHBondContact OD2-ND2 3.25Å |
| 264 | G | 83.8 | Confident | 92 | Very high | 20 Ų | 20 | 71.2 Ų | 71.2 | 21% | 0.206 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -16.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | S238 F240 | S238-G264 WeakPolarHBondContact OG-CA 3.45Å; F240-G264 VanDerWaalsContact CE2-CA 3.44Å; F240-G264 WeakPolarHBondContact O-CA 3.2Å; F240-G264 PolarHBondContact O-N 3.11Å |
| 265 | Q | 84.6 | Confident | 91.5 | Very high | 160 Ų | 160 | 75 Ų | 75 | 75% | 0.748 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | -3.6 | -172 | -59.6 | 175.9 | -4.6 | 0 | 0 | 111.5 | D263 | D263-Q265 PolarHBondContact O-N 3.23Å; D263-Q265 VanDerWaalsContact O-N 3.12Å; D263-Q265 WeakPolarHBondContact OD1-CA 3.41Å; D263-Q265 WeakPolarHBondContact OD1-CB 3.35Å; D263-Q265 PolarHBondContact OD1-N 3.45Å |
| 266 | G | 83.6 | Confident | 90.3 | Very high | 52 Ų | 52 | 76.3 Ų | 76.3 | 54% | 0.536 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 87.7 | 10.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D263 | D263-G266 PolarHBondContact O-N 3.11Å; D263-G266 PolarHBondContact OD1-N 3.28Å |
| 267 | N | 87.5 | Confident | 88.2 | Confident | 93 Ų | 93 | 78.9 Ų | 78.9 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | trans | -77.5 | 139.5 | 171.1 | -51.6 | -57.6 | 0 | 0 | 0 | 109.6 | Q262 D263 | Q262-N267 CarbonylContact C-O 3.54Å; Q262-N267 VanDerWaalsContact CA-O 3.27Å; Q262-N267 WeakPolarHBondContact CA-O 3.46Å; D263-N267 PolarHBondContact N-O 3.46Å; D263-N267 PolarHBondContact OD1-N 2.94Å; D263-N267 WeakPolarHBondContact OD2-CB 3.32Å; D263-N267 PolarHBondContact OD2-ND2 3.25Å | ||
| 268 | E | 92.6 | Very high | 85.9 | Confident | 127 Ų | 127 | 88.2 Ų | 88.2 | 59% | 0.593 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.6 | -177.2 | -174.3 | -179 | 162 | 0 | 0 | 110.3 | T260 V261 | T260-E268 HydrophobicContact CG2-CG 3.49Å; T260-E268 VanDerWaalsContact CG2-CG 3.49Å; T260-E268 WeakPolarHBondContact CG2-OE1 3.22Å; V261-E268 CarbonylContact O-C 3.53Å; V261-E268 WeakPolarHBondContact O-CA 3.28Å |
| 269 | E | 92.9 | Very high | 84 | Confident | 129 Ų | 129 | 92.8 Ų | 92.8 | 60% | 0.603 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.4 | 175.2 | -176.8 | -180 | 176.6 | 0 | 0 | 109.6 | T260 V261 | T260-E269 CarbonylContact C-O 3.54Å; T260-E269 VanDerWaalsContact CA-O 3.32Å; T260-E269 WeakPolarHBondContact CA-O 3.31Å; V261-E269 PolarHBondContact N-O 3.38Å; V261-E269 PolarHBondContact O-N 3.06Å |
| 270 | T | 94.6 | Very high | 81.6 | Confident | 78 Ų | 78 | 90.2 Ų | 90.2 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.9 | 177.5 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | R259 V272 | R259-T270 CarbonylContact O-C 3.56Å; R259-T270 WeakPolarHBondContact O-CA 3.34Å; T270-V272 HydrophobicContact CG2-CG2 4.27Å |
| 271 | T | 94.5 | Very high | 79.1 | Confident | 58 Ų | 58 | 94.7 Ų | 94.7 | 36% | 0.356 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 131.3 | 172.1 | -46.2 | 0 | 0 | 0 | 0 | 109.4 | R258 R259 | R258-T271 CarbonylContact C-O 3.51Å; R258-T271 WeakPolarHBondContact CA-O 3.36Å; R259-T271 PolarHBondContact N-O 3.06Å; R259-T271 PolarHBondContact O-N 3.34Å |
| 272 | V | 93.4 | Very high | 76.6 | Confident | 61 Ų | 61 | 102.5 Ų | 102.5 | 37% | 0.37 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.9 | 124.4 | 176.6 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | E257 R258 T270 Y274 | E257-V272 CarbonylContact O-C 3.55Å; E257-V272 WeakPolarHBondContact O-CA 3.33Å; R258-V272 HydrophobicContact CB-CG2 4.43Å; R258-V272 HydrophobicContact CG-CG1 4.13Å; R258-V272 HydrophobicContact CG-CG2 4.02Å; T270-V272 HydrophobicContact CG2-CG2 4.27Å; V272-Y274 HydrophobicContact CG1-CD2 4.38Å; V272-Y274 HydrophobicContact CG1-CE2 3.71Å |
| 273 | T | 91.6 | Very high | 73.8 | Confident | 68 Ų | 68 | 105 Ų | 105 | 42% | 0.417 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.2 | 133 | 178.9 | -53.1 | 0 | 0 | 0 | 0 | 109.3 | E257 I275 | E257-T273 PolarHBondContact N-O 3.28Å; E257-T273 PolarHBondContact O-N 3.08Å; T273-I275 HydrophobicContact CG2-CG1 4.23Å |
| 274 | Y | 90.4 | Very high | 71.5 | Confident | 154 Ų | 154 | 111.4 Ų | 111.4 | 60% | 0.604 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.8 | 176.6 | -61.4 | -94.8 | 0 | 0 | 0 | 109.3 | V255 E256 V272 | V255-Y274 CarbonylContact O-C 3.55Å; V255-Y274 WeakPolarHBondContact O-CA 3.35Å; E256-Y274 HydrophobicContact CB-CD1 4.39Å; E256-Y274 HydrophobicContact CB-CE1 4.37Å; E256-Y274 HydrophobicContact CG-CD1 3.72Å; E256-Y274 HydrophobicContact CG-CE1 3.64Å; E256-Y274 WeakPolarHBondContact OE1-CE1 3.37Å; V272-Y274 HydrophobicContact CG1-CD2 4.38Å; V272-Y274 HydrophobicContact CG1-CE2 3.71Å |
| 275 | I | 80.9 | Confident | 69.4 | Low | 90 Ų | 90 | 116 Ų | 116 | 46% | 0.462 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.9 | 112.9 | 179.4 | -56.8 | 169.6 | 0 | 0 | 0 | 107.5 | S254 V255 T273 | S254-I275 CarbonylContact C-O 3.52Å; V255-I275 WeakPolarHBondContact CA-O 2.94Å; V255-I275 HydrophobicContact CB-CB 4.19Å; V255-I275 WeakPolarHBondContact CB-O 3.27Å; V255-I275 PolarHBondContact N-O 3.13Å; V255-I275 PolarHBondContact O-N 2.91Å; T273-I275 HydrophobicContact CG2-CG1 4.23Å |
| 276 | G | 67.1 | Low | 66.9 | Low | 50 Ų | 50 | 111.9 Ų | 111.9 | 52% | 0.515 | 64% | 0.64 | S | S | . | * | trans | 112 | 118.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S254 | S254-G276 WeakPolarHBondContact CB-O 3.48Š| ||
| 277 | G | 49.9 | Very low | 64.8 | Low | 76 Ų | 76 | 115.6 Ų | 115.6 | 78% | 0.784 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 144.2 | 117.8 | -173 | 0 | 0 | 0 | 0 | 0 | 107.2 | E279 | G277-E279 PolarHBondContact O-N 3.18Š|
| 278 | R | 48.7 | Very low | 63 | Low | 252 Ų | 252 | 119.3 Ų | 119.3 | 95% | 0.951 | 67% | 0.673 | S | S | * | * | trans | -48.2 | 134.8 | 177.8 | -72.3 | 173.1 | 163.2 | -169.6 | -5.3 | 110.1 | G280 | R278-G280 PolarHBondContact O-N 3.03Š| ||
| 279 | E | 54.1 | Low | 60.5 | Low | 205 Ų | 205 | 121.3 Ų | 121.3 | 96% | 0.958 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -9.8 | 115.6 | 165.8 | -168.8 | 175.9 | -166.1 | 0 | 0 | 114.9 | G277 | G277-E279 PolarHBondContact O-N 3.18Š|
| 280 | G | 45.7 | Very low | 57.9 | Low | 65 Ų | 65 | 120.6 Ų | 120.6 | 67% | 0.67 | 69% | 0.694 | S | S | * | * | trans | 170.8 | 101.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R278 | R278-G280 PolarHBondContact O-N 3.03Š| ||
| 281 | V | 41.5 | Very low | 55.6 | Low | 118 Ų | 118 | 123.4 Ų | 123.4 | 72% | 0.715 | 71% | 0.713 | S | S | * | * | trans | 73 | 95.6 | 158.2 | -161.7 | 0 | 0 | 0 | 0 | 115.7 | D283 | V281-D283 HydrophobicContact CG1-CB 4.46Å; V281-D283 WeakPolarHBondContact CG1-OD1 3.49Å; V281-D283 PolarHBondContact O-N 3.11Å | ||
| 282 | Q | 43.6 | Very low | 53.1 | Low | 175 Ų | 175 | 124.6 Ų | 124.6 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -57.6 | 90.1 | 147.1 | -81.4 | 178.3 | 4.7 | 0 | 0 | 108.2 | Q284 | Q282-Q284 PolarHBondContact O-N 3.19Š| ||
| 283 | D | 36.6 | Very low | 50.2 | Low | 135 Ų | 135 | 124.4 Ų | 124.4 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | -74.6 | 85 | 162.6 | -93.8 | -20.1 | 0 | 0 | 0 | 107.7 | V281 S285 | V281-D283 HydrophobicContact CG1-CB 4.46Å; V281-D283 WeakPolarHBondContact CG1-OD1 3.49Å; V281-D283 PolarHBondContact O-N 3.11Å; D283-S285 VanDerWaalsContact C-N 3.33Å; D283-S285 PolarHBondContact O-N 2.91Å | ||
| 284 | Q | 43.7 | Very low | 48 | Very low | 174 Ų | 174 | 128.3 Ų | 128.3 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -61.2 | 98.1 | 160.3 | -66.5 | -159.8 | 43.7 | 0 | 0 | 108.3 | Q282 | Q282-Q284 PolarHBondContact O-N 3.19Š| ||
| 285 | S | 40.2 | Very low | 45.4 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -121.1 | 73.8 | 170 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | D283 | D283-S285 VanDerWaalsContact C-N 3.33Å; D283-S285 PolarHBondContact O-N 2.91Å | ||
| 286 | G | 31.4 | Very low | 43.6 | Very low | 74 Ų | 74 | 129.3 Ų | 129.3 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | 97.5 | 161.1 | 142.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 287 | P | 40.1 | Very low | 42.1 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | cis | -110.5 | 151.1 | -16.5 | 33.9 | -18.8 | 0 | 0 | 0 | 113.6 | L289 | P287-L289 PolarHBondContact O-N 2.98Š| ||
| 288 | L | 49.2 | Very low | 41.6 | Very low | 171 Ų | 171 | 139.4 Ų | 139.4 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | -53.7 | 124.8 | 172.7 | -71.2 | 156.2 | 0 | 0 | 0 | 113.3 | ||||
| 289 | L | 39.4 | Very low | 41.2 | Very low | 170 Ų | 170 | 135 Ų | 135 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | -166.1 | 162 | 148.2 | -82.7 | -165.7 | 0 | 0 | 0 | 111.1 | P287 | P287-L289 PolarHBondContact O-N 2.98Š| ||
| 290 | P | 39.1 | Very low | 40.5 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | -89.2 | 174.8 | -101.4 | 30.4 | -8.6 | 0 | 0 | 0 | 115.4 | G292 | P290-G292 PolarHBondContact O-N 2.89Š| |||
| 291 | P | 45.5 | Very low | 40.4 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -81.2 | 118.3 | -175.7 | 32.6 | -30.8 | 0 | 0 | 0 | 111.1 | ||
| 292 | G | 42.8 | Very low | 40.5 | Very low | 82 Ų | 82 | 136.1 Ų | 136.1 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | 150.7 | 93.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P290 | P290-G292 PolarHBondContact O-N 2.89Š| ||
| 293 | G | 32.2 | Very low | 40.6 | Very low | 58 Ų | 58 | 134.2 Ų | 134.2 | 60% | 0.598 | 78% | 0.775 | S | S | * | * | trans | 176 | 85.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | H295 | G293-H295 PolarHBondContact O-N 3.21Š| ||
| 294 | T | 45.1 | Very low | 41.2 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 91% | 0.914 | 78% | 0.783 | S | S | * | * | trans | -57.5 | 103 | 168.7 | 3.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 295 | H | 37.2 | Very low | 41.4 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | -96.8 | 119.6 | 164.7 | -77.2 | -77.3 | 0 | 0 | 0 | 109 | G293 F297 | G293-H295 PolarHBondContact O-N 3.21Å; H295-F297 HydrophobicContact CB-CD2 4.37Å; H295-F297 PolarHBondContact O-N 2.89Å; H295-F297 VanDerWaalsContact O-N 3.12Å | ||
| 296 | P | 42.5 | Very low | 42 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | trans | -86.5 | 67 | 174.3 | 36.7 | -31.3 | 0 | 0 | 0 | 108.5 | ||||
| 297 | F | 36.2 | Very low | 42.9 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 80% | 0.803 | 75% | 0.75 | S | S | * | * | trans | -106.7 | 89.3 | 160.8 | -71.1 | -71.3 | 0 | 0 | 0 | 106.3 | H295 E299 | H295-F297 HydrophobicContact CB-CD2 4.37Å; H295-F297 PolarHBondContact O-N 2.89Å; H295-F297 VanDerWaalsContact O-N 3.12Å; F297-E299 PolarHBondContact O-N 2.78Å; F297-E299 VanDerWaalsContact O-N 3.12Å | ||
| 298 | L | 38.2 | Very low | 43.6 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | trans | -36.8 | 116.9 | 165.8 | -77.5 | 137 | 0 | 0 | 0 | 109.2 | M300 | L298-M300 PolarHBondContact O-N 3.27Š| ||
| 299 | E | 41.1 | Very low | 43.8 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | trans | -29.1 | 80.1 | 137.8 | -172.3 | 172.7 | -159.7 | 0 | 0 | 110.3 | F297 H301 | F297-E299 PolarHBondContact O-N 2.78Å; F297-E299 VanDerWaalsContact O-N 3.12Å; E299-H301 PolarHBondContact O-N 3.45Å; E299-H301 VanDerWaalsContact O-N 3.11Å; E299-H301 IonicContact OE1-NE2 2.66Å | ||
| 300 | M | 39.1 | Very low | 44.4 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 78% | 0.778 | 72% | 0.718 | S | S | * | * | trans | -74.5 | 95 | 158.4 | -89.1 | -170.4 | -64.3 | 0 | 0 | 104.5 | L298 D302 | L298-M300 PolarHBondContact O-N 3.27Å; M300-D302 PolarHBondContact O-N 3.32Å | ||
| 301 | H | 43.8 | Very low | 45.3 | Very low | 125 Ų | 125 | 134 Ų | 134 | 58% | 0.579 | 72% | 0.719 | S | S | * | * | trans | -43 | 114.9 | 156.2 | -78 | -85.1 | 0 | 0 | 0 | 108 | E299 D303 | E299-H301 PolarHBondContact O-N 3.45Å; E299-H301 VanDerWaalsContact O-N 3.11Å; E299-H301 IonicContact OE1-NE2 2.66Å; H301-D303 PolarHBondContact O-N 3.08Å | ||
| 302 | D | 43.9 | Very low | 45.6 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 69% | 0.69 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -69.1 | 35.5 | 178.6 | -74.2 | -43.2 | 0 | 0 | 0 | 112.4 | M300 L304 S305 | M300-D302 PolarHBondContact O-N 3.32Å; D302-L304 PolarHBondContact O-N 3.37Å; D302-S305 WeakPolarHBondContact O-CB 3.05Å; D302-S305 PolarHBondContact O-N 3.02Å; D302-S305 VanDerWaalsContact O-N 3.13Å |
| 303 | D | 45.2 | Very low | 45.9 | Very low | 136 Ų | 136 | 130 Ų | 130 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -2.4 | 178.3 | -67.8 | -6.8 | 0 | 0 | 0 | 112.1 | H301 | H301-D303 PolarHBondContact O-N 3.08Š|
| 304 | L | 49.8 | Very low | 46.7 | Very low | 167 Ų | 167 | 139 Ų | 139 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 7.1 | 172.2 | -61.1 | 178 | 0 | 0 | 0 | 113.1 | D302 L306 | D302-L304 PolarHBondContact O-N 3.37Å; L304-L306 PolarHBondContact O-N 3.08Å; L304-L306 VanDerWaalsContact O-N 3.08Å |
| 305 | S | 48.2 | Very low | 46.8 | Very low | 50 Ų | 50 | 147.7 Ų | 147.7 | 35% | 0.35 | 74% | 0.735 | S | S | . | * | trans | -59.6 | 117.4 | 177.1 | -157 | 0 | 0 | 0 | 0 | 109.8 | D302 F307 S308 | D302-S305 WeakPolarHBondContact O-CB 3.05Å; D302-S305 PolarHBondContact O-N 3.02Å; D302-S305 VanDerWaalsContact O-N 3.13Å; S305-F307 PolarHBondContact O-N 2.94Å; S305-S308 WeakPolarHBondContact O-CB 3.47Å; S305-S308 PolarHBondContact O-N 3.24Å; S305-S308 PolarHBondContact O-OG 2.88Å | ||
| 306 | L | 52.6 | Low | 47.3 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 69% | 0.686 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -49.2 | -28 | -179.7 | -139.9 | 93.5 | 0 | 0 | 0 | 112.2 | L304 K309 | L304-L306 PolarHBondContact O-N 3.08Å; L304-L306 VanDerWaalsContact O-N 3.08Å; L306-K309 PolarHBondContact O-N 3.32Å |
| 307 | F | 49.1 | Very low | 47.5 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 66% | 0.658 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -65.2 | -37.3 | 178 | -85.8 | -89.5 | 0 | 0 | 0 | 114 | S305 K309 F310 F311 | S305-F307 PolarHBondContact O-N 2.94Å; F307-K309 PolarHBondContact O-N 2.79Å; F307-F310 PolarHBondContact O-N 3.12Å; F307-F311 HydrophobicContact CD1-CD2 4.47Å; F307-F311 HydrophobicContact CD1-CE2 4.36Å; F307-F311 WeakPolarHBondContact O-CD2 3.49Å; F307-F311 PolarHBondContact O-N 3.36Å |
| 308 | S | 55 | Low | 48.1 | Very low | 70 Ų | 70 | 147.4 Ų | 147.4 | 49% | 0.49 | 73% | 0.733 | S | S | . | * | H | α-helix | trans | -66.2 | -28.3 | 178.2 | -42.7 | 0 | 0 | 0 | 0 | 111.8 | S305 G312 | S305-S308 WeakPolarHBondContact O-CB 3.47Å; S305-S308 PolarHBondContact O-N 3.24Å; S305-S308 PolarHBondContact O-OG 2.88Å; S308-G312 VanDerWaalsContact O-CA 3.27Å; S308-G312 WeakPolarHBondContact O-CA 3.27Å; S308-G312 PolarHBondContact O-N 2.96Å |
| 309 | K | 53 | Low | 48.7 | Very low | 173 Ų | 173 | 147 Ų | 147 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -80.5 | -29.4 | -176.3 | -132.9 | 168.9 | 177.2 | -179.3 | 0 | 112.9 | L306 F307 | L306-K309 PolarHBondContact O-N 3.32Å; F307-K309 PolarHBondContact O-N 2.79Å |
| 310 | F | 52.5 | Low | 49.2 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 73% | 0.728 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -84.8 | -30.4 | 176.4 | -93.4 | -87.2 | 0 | 0 | 0 | 113.4 | F307 | F307-F310 PolarHBondContact O-N 3.12Å |
| 311 | F | 58.4 | Low | 49.9 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 75% | 0.746 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -118.6 | -2.4 | -172 | -61 | -78.3 | 0 | 0 | 0 | 114.7 | F307 G313 | F307-F311 HydrophobicContact CD1-CD2 4.47Å; F307-F311 HydrophobicContact CD1-CE2 4.36Å; F307-F311 WeakPolarHBondContact O-CD2 3.49Å; F307-F311 PolarHBondContact O-N 3.36Å; F311-G313 VanDerWaalsContact C-N 3.3Å; F311-G313 PolarHBondContact O-N 3.35Å |
| 312 | G | 52.3 | Low | 50.3 | Low | 64 Ų | 64 | 146.9 Ų | 146.9 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | trans | -80.1 | 1.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116 | S308 | S308-G312 VanDerWaalsContact O-CA 3.27Å; S308-G312 WeakPolarHBondContact O-CA 3.27Å; S308-G312 PolarHBondContact O-N 2.96Å | ||
| 313 | G | 49.7 | Very low | 50.8 | Low | 71 Ų | 71 | 148.3 Ų | 148.3 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | trans | -103.4 | 77 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F311 | F311-G313 VanDerWaalsContact C-N 3.3Å; F311-G313 PolarHBondContact O-N 3.35Å | ||
| 314 | R | 48.8 | Very low | 51.3 | Low | 249 Ų | 249 | 149.3 Ų | 149.3 | 94% | 0.94 | 74% | 0.739 | S | S | * | * | trans | -163 | 97.2 | 151.7 | -106.7 | 175.4 | -157.4 | -145 | 5.8 | 110.6 | ||||
| 315 | R | 45.8 | Very low | 51.4 | Low | 331 Ų | 331 | 147.7 Ų | 147.7 | 100% | 1.249 | 73% | 0.726 | S | S | * | * | trans | -130.8 | 0 | 145.7 | -88.7 | -168.7 | 178.5 | -174.7 | 0.9 | 107.7 |
Retrieved 315 of 315 residues in 404.1 ms
(Link to these results)